SCHEMBL3753945

SCHEMBL3753945

Cc1cn(-c2ccc(N)cc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.47
NOTUM Q6P988 4/20 0.43
LRRK2 Q5S007 1/20 0.42
FLT3 P36888 2/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA5A P35218 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
PTGS2 P35354 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MAOA P21397 2/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL13183572 0.83 NOTUM (0.59) NOTUMLRRK2FLT3CA1CA2
SCHEMBL13183643 0.81 ESRRA (0.52) ESRRANOTUMFLT3
SCHEMBL12179482 0.80 MIF (0.53) ESRRANOTUM
SCHEMBL14611001 0.80 NOTUM (0.56) NOTUMFLT3PTGS2P2RX7
SCHEMBL2683483 0.80 FLT3 (0.50) NOTUMFLT3CA1CA2CA5A
SCHEMBL18865699 0.79 NOTUM (0.46) NOTUMFLT3CA1CA2CA12
SCHEMBL2629357 0.79 P2RX7 (0.55) ESRRANOTUMFLT3CA1CA2
SCHEMBL3340257 0.78 KDM4E (0.49) ESRRANOTUMLRRK2
SCHEMBL29640824 0.78 MAPT (0.44) NOTUMLRRK2FLT3CA1CA2
SCHEMBL21275488 0.78 MAPT (0.44) NOTUMLRRK2FLT3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476670-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2022-06-28 CN disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10647721-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-01 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
WO-2012107850-A1 GLUCAGON RECEPTOR MODULATOR PFIZER INC. (US) 2012-08-16 WO disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (6 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ESRRA 3634/4885NOTUM 1961/4885LRRK2 762/4885
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, CDR2, DBH ESRRA 2620/4885NOTUM 3424/4885LRRK2 1379/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 ESRRA 4511/4885NOTUM 3648/4885LRRK2 333/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ESRRA 263/4885NOTUM 4691/4885LRRK2 313/4885
US-10647721-B2 Bicyclic heteroaryl derivatives HUWE1, CDR2, DBH ESRRA 2620/4885NOTUM 3424/4885LRRK2 1379/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ESRRA 263/4885NOTUM 4691/4885LRRK2 313/4885

“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.