SCHEMBL438812

SCHEMBL438812

Nc1cc(-c2ccnc(Cl)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
IDO1 P14902 1/20 0.41
CYP19A1 P11511 1/20 0.40
LOX P28300 1/20 0.40
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP3A4 P08684 2/20 0.38
ROCK1 Q13464 2/20 0.38
PRKACA P17612 1/20 0.38
RORB Q92753 2/20 0.37
RORC P51449 1/20 0.37
AAK1 Q2M2I8 3/20 0.36
EPHB4 P54760 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL4027001 0.79 IDO1 (0.55) CCNCCDK8ADORA2AADORA1IDO1
SCHEMBL17632269 0.76 DYRK1A (0.54) CCNCCDK8ADORA2AADORA1IDO1
SCHEMBL28163101 0.75 CCNC (0.46) CCNCCDK8ADORA2AADORA1IDO1
SCHEMBL3258545 0.74 MAPT (0.50) CYP3A4AAK1RECQLNPC1MAPT
SCHEMBL27745484 0.73 ALDH1A1 (0.53) IDO1CYP19A1CYP3A4NPC1MAPT
SCHEMBL10151048 0.72 ALAD (0.52) ADORA2AADORA1IDO1NPC1MAPT
SCHEMBL23539914 0.72 TAAR1 (0.47) CYP19A1
Hydrochloric Acid SCHEMBL454285 0.71 ALDH1A1 (0.51) IDO1CYP19A1CYP3A4NPC1MAPT
SCHEMBL4672168 0.71 LMNA (0.52) CCNCCDK8ADORA2AADORA1IDO1
Hydrochloric Acid SCHEMBL12465675 0.71 ALAD (0.50) ADORA2AADORA1IDO1CYP3A4NPC1

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-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-8278306-B2 C-met protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 US disclosed
US-8058271-B2 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-15 US disclosed
US-8058271-B2 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-15 US disclosed
EP-2032562-B1 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMA (US) 2010-08-25 EP disclosed
WO-2007133622-A2 SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-22 WO disclosed
US-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 US disclosed
US-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 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 (2 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-20070270386-A1 Selective inhibitors of rock protein kinase and uses thereof ROCK1, ROCK2, MYLK CCNC 1809/4885CDK8 531/4885ADORA2A 3787/4885
US-20120065213-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, MYLK CCNC 729/4885CDK8 485/4885ADORA2A 2612/4885

“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.