SCHEMBL3604416

SCHEMBL3604416

O=C(Nc1cccc(Oc2cccnc2)c1)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.48
RAF1 P04049 2/20 0.47
NPC1 O15118 1/20 0.46
TNF P01375 1/20 0.46
RAB9A P51151 1/20 0.46
NOD1 Q9Y239 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
CDK8 P49336 1/20 0.43
PTGES O14684 1/20 0.43

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
SCHEMBL3594514 0.92 ALDH1A1 (0.52) RAF1NPC1TNFRAB9ANOD1
SCHEMBL3593297 0.91 BRAF (0.48) RAF1NTRK1CDK8PTGES
SCHEMBL3596312 0.83 NPC1 (0.50) GRM5RAF1NPC1TNFRAB9A
SCHEMBL3594043 0.82 RAF1 (0.53) GRM5RAF1CDK8
SCHEMBL3589893 0.82 KDR (0.49) KMT2APTGES
SCHEMBL3596314 0.78 GRM5 (0.58) GRM5MEN1KMT2A
SCHEMBL2181161 0.77 GRM5 (0.52) GRM5MEN1TSHRKMT2A
SCHEMBL4172506 0.77 KDR (0.48) RAF1
SCHEMBL12412290 0.75 MEN1 (0.71) GRM5NPC1TNFRAB9ANOD1
SCHEMBL3588092 0.75 NPC1 (0.51) RAF1NPC1TNFRAB9ANOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643991-B1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
EP-1643991-A1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-04-12 EP disclosed
WO-2005004863-A1 BENZIMIDAZOLE CARBOXAMIDES 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 (1 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-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors BRAF, RAF1, ARAF GRM5 3847/4885RAF1 2/4885NPC1 2767/4885

“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.