SCHEMBL3578600

SCHEMBL3578600

CNC(=O)c1cc(Oc2cccc(C(=O)O)c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.60
KDR P35968 9/20 0.60
AKR1C3 P42330 1/20 0.55
RAF1 P04049 4/20 0.53
RET P07949 2/20 0.52
PLK4 O00444 1/20 0.52
AURKA O14965 1/20 0.52
MAPK13 O15264 1/20 0.52
JAK2 O60674 1/20 0.52
MAP4K4 O95819 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
LYN P07948 1/20 0.52
ROS1 P08922 1/20 0.52
SRC P12931 1/20 0.52
RPS6KB1 P23443 1/20 0.52
EPHA2 P29317 1/20 0.52
TYK2 P29597 1/20 0.52
AXL P30530 1/20 0.52

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
SCHEMBL5423254 0.88 KDR (0.56) BRAFKDRRAF1RETPLK4
SCHEMBL18681347 0.88 BRAF (0.70) BRAFKDRRAF1RETPLK4
SCHEMBL3590776 0.86 BRAF (0.69) BRAFKDRRAF1RETPLK4
SCHEMBL3991905 0.85 KDR (0.57) BRAFKDRRAF1RETPLK4
SCHEMBL14527336 0.85 NPC1 (0.58) BRAFKDRRETPLK4AURKA
SCHEMBL12020936 0.84 KDR (0.55) BRAFKDRRAF1RETPLK4
SCHEMBL167783 0.84 KDR (0.58) BRAFKDRRAF1RETPLK4
SCHEMBL19478172 0.84 BRAF (0.62) BRAFKDRRAF1EPHX2
SCHEMBL5661949 0.83 BRAF (0.62) BRAFKDRRAF1RETPLK4
SCHEMBL14527325 0.83 NPC1 (0.58) BRAFKDRRAF1RETPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653951-B1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
EP-1653951-B1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7691886-B2 Benzimidazole derivatives as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7691886-B2 Benzimidazole derivatives as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-7691886-B2 Benzimidazole derivatives as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20070142440-A1 Pyridinamide derivatives as kinase inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093529-A1 Diacylhydrazine derivatives MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
EP-1718614-A1 PYRIDINAMIDE DERIVATIVE AS KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-11-08 EP disclosed
EP-1692110-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2006-08-23 EP disclosed
EP-1653951-A1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-05-10 EP disclosed
WO-2005085202-A1 PYRIDINAMIDE DERIVATIVE AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-09-15 WO disclosed
WO-2005058832-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2005-06-30 WO disclosed
WO-2005004864-A1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-01-20 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 (3 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-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis BRAF, RAF1, VEGFA BRAF 1/4885KDR 4/4885AKR1C3 549/4885
US-20070093529-A1 Diacylhydrazine derivatives BRAF, RAF1, NRAS BRAF 1/4885KDR 1543/4885AKR1C3 1502/4885
US-20070142440-A1 Pyridinamide derivatives as kinase inhibitors TIE1, KDR, FLT1 BRAF 49/4885KDR 2/4885AKR1C3 989/4885

“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.