SCHEMBL3594026

SCHEMBL3594026

O=C(Nc1cccc(Oc2ccncc2)c1)c1nc2c(C(F)(F)F)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 3/20 0.53
BRAF P15056 5/20 0.47
KDR P35968 2/20 0.47
MAPK14 Q16539 1/20 0.47
TNNI3K Q59H18 1/20 0.47
RAF1 P04049 4/20 0.46
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
RET P07949 1/20 0.44
USP36 Q9P275 1/20 0.41
TYK2 P29597 1/20 0.40

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
SCHEMBL3596282 0.87 RET (0.62) CBLBBRAFKDRMAPK14TNNI3K
SCHEMBL6016945 0.86 KDR (0.42) CBLBBRAFKDRMAPK14TNNI3K
SCHEMBL3591965 0.83 RAF1 (0.47) BRAFKDRRAF1KDM1ARCOR1
SCHEMBL3593297 0.83 BRAF (0.48) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL3602119 0.83 KDR (0.49) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL3589751 0.82 KDR (0.53) BRAFKDRMAPK14TNNI3KRAF1
SCHEMBL6017011 0.81 FAAH (0.51) BRAFKDRRAF1KDM1ARCOR1
SCHEMBL3603688 0.76 KDR (0.49) BRAFKDRRAF1KDM1ARCOR1
SCHEMBL3604416 0.74 GRM5 (0.48) RAF1
SCHEMBL3594043 0.74 RAF1 (0.53) BRAFRAF1RET

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-1643991-B1 BENZIMIDAZOLE CARBOXAMIDES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
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-7691870-B2 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US 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
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US disclosed
US-20070093532-A1 Benzimidazole carboxamides as raf kinase inhibitors MERCK PATENT GMBH (DE) 2007-04-26 US 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 CBLB 1945/4885BRAF 1/4885KDR 843/4885

“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.