SCHEMBL4677679

SCHEMBL4677679

COCc1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.60
CSNK1D P48730 3/20 0.60
EGFR P00533 1/20 0.49
RAF1 P04049 1/20 0.49
ERBB2 P04626 1/20 0.49
KDR P35968 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49

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
SCHEMBL4680304 0.78 MAPK14 (0.45) MAPK14CSNK1DMAPK9
SCHEMBL4679157 0.73 MAPK10 (0.58) MAPK14CSNK1DMAPK8MAPK9
SCHEMBL14143111 0.71 MAPK10 (0.56) MAPK14CSNK1DKDRMAPK8MAPK9
SCHEMBL5818374 0.70 MAPK14 (0.54) MAPK14CSNK1DEGFRRAF1ERBB2
SCHEMBL5812796 0.70 MAPK14 (0.71) MAPK14EGFRRAF1ERBB2KDR
SCHEMBL2848291 0.70 MAPK14 (0.76) MAPK14
SCHEMBL2853058 0.70 MAPK14 (1.00) MAPK14
SCHEMBL4684820 0.70 MAPK10 (0.62) MAPK14CSNK1DMAPK8MAPK9
SCHEMBL2847992 0.70 MAPK14 (1.00) MAPK14
SCHEMBL5567859 0.69 MAPK14 (0.48) MAPK14CSNK1DEGFRRAF1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218369-B1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-07-23 EP disclosed
US-7169798-B2 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-30 US disclosed
EP-1218369-A4 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2005-06-22 EP disclosed
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases GREEN JEREMY (US) 2005-02-03 US disclosed
US-6693108-B2 PYRIMIDINYL-GUANIDINE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED 2004-02-17 US disclosed
US-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases VERTX PHARMACEUTICALS INCORPORATED 2003-08-07 US disclosed
EP-1218369-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-07-03 EP disclosed
WO-2001012621-A1 INHIBITORS OF c-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-02-22 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 (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-20030149051-A1 Inhibitors of c-Jun N terminal kinases (JNK) and other protein kinases MAPK1, PACSIN2, MAP3K1 MAPK14 48/4885CSNK1D 62/4885EGFR 666/4885
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 MAPK14 43/4885CSNK1D 78/4885EGFR 740/4885

“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.