SCHEMBL4680304

SCHEMBL4680304

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.45
CSNK1D P48730 6/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
PTGS2 P35354 4/20 0.41
PTGS1 P23219 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPK11 Q15759 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
SCHEMBL4680544 0.85 PTGS2 (0.48) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL4680761 0.80 PTGS2 (0.53) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL4334618 0.78 MAPK14 (0.66) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL4677679 0.78 MAPK14 (0.60) MAPK14CSNK1DMAPK9
SCHEMBL2473230 0.73 PTGS2 (0.40) MAPK14CSNK1DMAPK9MAPK10PTGS2
SCHEMBL4680533 0.73 PTGS2 (0.49) MAPK14CSNK1DMAPK10PTGS2PTGS1
SCHEMBL11099601 0.70 PTGS2 (0.73) PTGS2PTGS1PDE3A
SCHEMBL4333425 0.70 MAPK14 (0.61) MAPK14CSNK1DMAPK9MAPK10MAPK11
SCHEMBL14591605 0.70 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL2471415 0.68 LMNA (0.53) PTGS2PTGS1PDE3A

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 62/4885MAPK9 65/4885
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 MAPK14 43/4885CSNK1D 78/4885MAPK9 47/4885

“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.