SCHEMBL655270

SCHEMBL655270

CCOC(=O)CCN1NCc2ccc(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.45
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
NOTUM Q6P988 1/20 0.37
KAT2B Q92831 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL656509 0.90 TNF (0.45) TNFALDH1A1LMNANPC1POLB
SCHEMBL656093 0.81 MAPT (0.47) ALDH1A1LMNARAB9AKDM4EKMT2A
SCHEMBL655558 0.78 RAD52 (0.36) ALDH1A1LMNAPOLBTSHRKDM4E
SCHEMBL657283 0.74 MAPT (0.47) ALDH1A1LMNANPC1RAB9AKDM4E
SCHEMBL2100665 0.71 TNF (0.50) TNFALDH1A1LMNANPC1POLB
SCHEMBL8605349 0.71 TMEM97 (0.49) TNFALDH1A1LMNANOTUMKDM4E
SCHEMBL25804451 0.70 MAPT (0.49) TNFALDH1A1LMNANPC1RAB9A
SCHEMBL10129654 0.69 ATAD2 (0.51) ALDH1A1LMNAPOLBRAB9AHTT
SCHEMBL6069566 0.69 KDM4E (0.33) ALDH1A1LMNAKDM4EMAPT
SCHEMBL3797261 0.68 TNF (0.58) TNFALDH1A1LMNANPC1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2017-08-31 US disclosed
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (18 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT TNF 107/4885ALDH1A1 2723/4885LMNA 4498/4885
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A TNF 165/4885ALDH1A1 3317/4885LMNA 4790/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A TNF 771/4885ALDH1A1 2615/4885LMNA 4802/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A TNF 28/4885ALDH1A1 2302/4885LMNA 4512/4885
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A TNF 336/4885ALDH1A1 2891/4885LMNA 4827/4885
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine HRH4, FCER2, HRH2 TNF 213/4885ALDH1A1 3607/4885LMNA 4505/4885
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A TNF 165/4885ALDH1A1 3317/4885LMNA 4790/4885
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade SYK, FCER2, FCGR1A TNF 294/4885ALDH1A1 3950/4885LMNA 4752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.