SCHEMBL8736804

SCHEMBL8736804

Cc1ccc2c(ccn2-c2ccncc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.54
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP19A1 P11511 4/20 0.42
KCNH2 Q12809 2/20 0.42
MAOB P27338 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
FGFR1 P11362 1/20 0.38
SLC6A2 P23975 1/20 0.37
HSP90AA1 P07900 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PLA2G4A P47712 1/20 0.36

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
SCHEMBL13444455 0.87 MAPT (0.53) ROCK1MAPTRXFP1CYP19A1KCNH2
SCHEMBL14864805 0.85 RXFP1 (0.52) ROCK1MAPTRXFP1CYP19A1KCNH2
SCHEMBL17067770 0.82 FGFR1 (0.51) ROCK1MAPTRXFP1KCNH2MAOB
SCHEMBL17067754 0.82 ROCK1 (0.50) ROCK1MAPTRXFP1CYP19A1MAOB
SCHEMBL10296017 0.80 ROCK1 (0.50) ROCK1MAPTRXFP1KCNH2MAOB
SCHEMBL9463558 0.79 KCNH2 (0.65) ROCK1MAPTRXFP1CYP19A1KCNH2
SCHEMBL31735405 0.79 PRKCI (0.49) ROCK1MAPTCYP19A1KCNH2FGFR1
SCHEMBL14259391 0.79 KCNH2 (0.53) ROCK1MAPTCYP19A1KCNH2HTR2A
SCHEMBL720541 0.79 PRKCI (0.49) ROCK1MAPTCYP19A1KCNH2FGFR1
SCHEMBL6795783 0.79 CYP19A1 (0.57) ROCK1CYP19A1KCNH2HTR2AHTR2C

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (4 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ROCK1 729/4885MAPT 3560/4885RXFP1 1632/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF ROCK1 665/4885MAPT 3056/4885RXFP1 3583/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF ROCK1 665/4885MAPT 3056/4885RXFP1 3583/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 ROCK1 859/4885MAPT 1525/4885RXFP1 4653/4885

“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.