SCHEMBL3603688

SCHEMBL3603688

O=C(Nc1cccc(Oc2ccncc2)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
GRM5 P41594 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
RAF1 P04049 1/20 0.45
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
BRAF P15056 1/20 0.43
TEK Q02763 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NHERF1 O14745 1/20 0.41

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
SCHEMBL3596314 0.90 GRM5 (0.58) GRM5MEN1KMT2A
SCHEMBL3588802 0.89 KDR (0.53) KDRSMN1; SMN2RAF1TEKMEN1
SCHEMBL6017011 0.87 FAAH (0.51) KDRSMN1; SMN2RAF1KDM1ARCOR1
SCHEMBL3589751 0.85 KDR (0.53) KDRRAF1BRAFTEK
SCHEMBL3593695 0.83 ALDH1A1 (0.55) KDRGRM5SMN1; SMN2KMT2A
SCHEMBL3602119 0.83 KDR (0.49) KDRRAF1BRAFTEKMEN1
SCHEMBL30912925 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ANHERF1
SCHEMBL30642989 0.79 GRIK1 (0.48) GRM5MEN1KMT2ANHERF1
SCHEMBL29086861 0.79 GRIK1 (0.48) GRM5MEN1KMT2ANHERF1
SCHEMBL3591965 0.79 RAF1 (0.47) KDRSMN1; SMN2RAF1KDM1ARCOR1

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 KDR 843/4885GRM5 3847/4885SMN1; SMN2 4378/4885

“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.