SCHEMBL655617

SCHEMBL655617

O=[N+]([O-])c1ccccc1OCc1nc(-c2ccccc2)no1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
SMN1; SMN2 Q16637 9/20 0.70
RAB9A P51151 9/20 0.70
NPC1 O15118 7/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
L3MBTL1 Q9Y468 5/20 0.65
LMNA P02545 2/20 0.65
HTT P42858 1/20 0.65
MAPK1 P28482 5/20 0.63
TDP1 Q9NUW8 4/20 0.63
TSHR P16473 4/20 0.63
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
CASP3 P42574 3/20 0.55
SENP8 Q96LD8 3/20 0.55
SENP7 Q9BQF6 3/20 0.55

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
P-Nitrophenol SCHEMBL2105583 0.91 MAPT (0.67) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL656839 0.80 SMN1; SMN2 (0.77) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2305236 0.72 NPC1 (0.68) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL10789091 0.72 NPC1 (0.68) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL30015078 0.72 NPC1 (0.68) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2089122 0.70 RAB9A (0.69) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL28574218 0.70 NPC1 (0.53) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL9722009 0.70 MAPT (0.55) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL654892 0.69 RAB9A (0.81) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL20968327 0.69 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1KMT2A

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 68 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-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-20170151239-A1 2,4-Pyrimidinediamine Compounds and Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2017-06-01 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-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
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO 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 (15 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 MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT MAPT 4330/4885SMN1; SMN2 4738/4885RAB9A 3057/4885
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-20070293523-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A MAPT 4110/4885SMN1; SMN2 4834/4885RAB9A 2656/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A MAPT 4391/4885SMN1; SMN2 4749/4885RAB9A 2375/4885
US-20170151239-A1 2,4-Pyrimidinediamine Compounds and Their Uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885SMN1; SMN2 4764/4885RAB9A 2531/4885
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 MAPT 4266/4885SMN1; SMN2 4853/4885RAB9A 2193/4885
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 MAPT 2623/4885SMN1; SMN2 4852/4885RAB9A 2180/4885

“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.