SCHEMBL3597691

SCHEMBL3597691

O=C(O)c1cc(Oc2cccc(NC(=O)c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.48
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
GAA P10253 1/20 0.47
MAPK14 Q16539 6/20 0.45
TNNI3K Q59H18 6/20 0.45
BRAF P15056 5/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
MAP2K7 O14733 2/20 0.44
FLT3 P36888 1/20 0.44
RAB9A P51151 1/20 0.43
CDK8 P49336 1/20 0.42

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
SCHEMBL13408258 0.92 KDR (0.51) KDRFLT1FLT4GAAMAPK14
SCHEMBL3597680 0.92 KDR (0.49) KDRFLT1FLT4GAAMAPK14
SCHEMBL3589751 0.81 KDR (0.53) KDRMAPK14TNNI3KBRAFRET
SCHEMBL3596312 0.80 NPC1 (0.50) KDRRAB9ACDK8
SCHEMBL3589289 0.80 BRAF (0.60) KDRMAPK14TNNI3KBRAFRET
SCHEMBL13408255 0.79 BRAF (0.49) KDRMAPK14TNNI3KBRAFRET
SCHEMBL2433502 0.75 KDR (0.80) KDRFLT1FLT4MAPK14TNNI3K
SCHEMBL3588092 0.71 NPC1 (0.51) KDRGAAMAPK14TNNI3KBRAF
SCHEMBL3601549 0.71 KDR (0.54) KDRMAPK14TNNI3KBRAFRET
SCHEMBL13408250 0.71 KDR (0.65) KDRFLT1FLT4MAPK14TNNI3K

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 843/4885FLT1 627/4885FLT4 851/4885

“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.