SCHEMBL4680533

SCHEMBL4680533

BrCc1onc(-c2ccccc2)c1-c1ccnc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.49
PTGS1 P23219 3/20 0.49
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MAPT P10636 2/20 0.35
MAPK14 Q16539 3/20 0.34
CSNK1D P48730 1/20 0.34
MAPK10 P53779 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA5 P31644 1/20 0.33

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 0.87 PTGS2 (0.48) PTGS2PTGS1MAPK14CSNK1DMAPK10
SCHEMBL4680219 0.81 PTGS2 (0.64) PTGS2PTGS1MAPTMAPK14TDP1
SCHEMBL4684085 0.80 MAPK10 (0.46) PTGS2PTGS1MAPTMAPK10
SCHEMBL14591610 0.76 PTPN1 (0.36) MAPTMAPK10TDP1L3MBTL1
SCHEMBL4680304 0.73 MAPK14 (0.45) PTGS2PTGS1MAPK14CSNK1DMAPK10
SCHEMBL4993 0.70 NOTUM (0.48)
SCHEMBL30375140 0.70 NOTUM (0.48)
SCHEMBL14591605 0.69 PTGS2 (0.47) PTGS2PTGS1MAPTTDP1L3MBTL1
SCHEMBL22827984 0.69 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL14143223 0.69 PTPN1 (0.35) MAPTMAPK10L3MBTL1

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 PTGS2 851/4885PTGS1 736/4885ESR1 2575/4885
US-20050026967-A1 Inhibitors of c-jun N terminal kinases (JNK) and other protein kinases MAP3K2, CSNK1G2, MAP3K5 PTGS2 461/4885PTGS1 1001/4885ESR1 2679/4885

“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.