SCHEMBL3594043

SCHEMBL3594043

O=C(Nc1cccc(Oc2cccnc2)c1)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.53
GRM5 P41594 3/20 0.48
CDK8 P49336 2/20 0.48
BRAF P15056 3/20 0.46
RET P07949 1/20 0.45

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
SCHEMBL3589610 0.92 RAF1 (0.53) RAF1CDK8BRAF
SCHEMBL3602119 0.91 KDR (0.49) RAF1CDK8BRAFRET
SCHEMBL3596312 0.85 NPC1 (0.50) RAF1GRM5CDK8
SCHEMBL3596314 0.83 GRM5 (0.58) GRM5
SCHEMBL3604416 0.82 GRM5 (0.48) RAF1GRM5CDK8
SCHEMBL3605396 0.82 KDR (0.54) RAF1CDK8BRAFRET
SCHEMBL2181161 0.81 GRM5 (0.52) GRM5
SCHEMBL6031235 0.77 RAF1 (0.66) RAF1GRM5CDK8BRAFRET
SCHEMBL3588092 0.76 NPC1 (0.51) RAF1CDK8BRAF
SCHEMBL4169753 0.76 KDR (0.61) RAF1BRAF

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 RAF1 2/4885GRM5 3847/4885CDK8 202/4885

“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.