SCHEMBL655882

SCHEMBL655882

CCOC(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
MGLL Q99685 1/20 0.62
HSD11B1 P28845 1/20 0.62
TSHR P16473 1/20 0.60
GAA P10253 2/20 0.59
PARP10 Q53GL7 1/20 0.59
GLA P06280 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
MAPT P10636 1/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 2/20 0.57

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
SCHEMBL22720413 0.84 TSHR (0.65) KMT2ATSHRGAAPARP10GLA
SCHEMBL12569718 0.83 TSHR (0.68) KMT2AMGLLHSD11B1TSHRGAA
SCHEMBL5758845 0.82 MGLL (0.74) KMT2AMGLLHSD11B1TSHRRXFP1
SCHEMBL2662096 0.82 MAPT (0.74) KMT2AMGLLGAAMAPTALDH1A1
SCHEMBL654873 0.81 PARP10 (0.67) KMT2AMGLLTSHRGAAPARP10
SCHEMBL315088 0.81 TSHR (0.72) KMT2AMGLLHSD11B1TSHRGAA
SCHEMBL6973124 0.81 GAA (0.73) KMT2ATSHRGAAGLAALDH1A1
SCHEMBL28972037 0.81 KMT2A (0.64) KMT2ATSHRGAAPARP10GLA
SCHEMBL6209378 0.80 MGLL (0.83) KMT2AMGLLHSD11B1RXFP1KDM4E
SCHEMBL12545795 0.80 KMT2A (0.66) KMT2AMGLLTSHRGAAPARP10

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 78 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-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES 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-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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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 (17 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 KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT KMT2A 1886/4885MGLL 3311/4885HSD11B1 4263/4885
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
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 KMT2A 2086/4885MGLL 3664/4885HSD11B1 4722/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A KMT2A 4638/4885MGLL 3006/4885HSD11B1 3666/4885
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A KMT2A 2984/4885MGLL 3921/4885HSD11B1 4581/4885
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 KMT2A 2883/4885MGLL 4224/4885HSD11B1 4733/4885
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A KMT2A 3461/4885MGLL 2763/4885HSD11B1 4185/4885
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 KMT2A 3199/4885MGLL 4112/4885HSD11B1 2422/4885

“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.