SCHEMBL3589751

SCHEMBL3589751

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.53
BRAF P15056 3/20 0.53
MAPK14 Q16539 2/20 0.53
TNNI3K Q59H18 2/20 0.53
RXFP1 Q9HBX9 2/20 0.46
TEK Q02763 3/20 0.45
FLT3 P36888 1/20 0.44
CDK8 P49336 1/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
JAK2 O60674 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
ROS1 P08922 1/20 0.44
SRC P12931 1/20 0.44

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
SCHEMBL3596312 0.91 NPC1 (0.50) KDRRXFP1TEKCDK8MAPT
SCHEMBL3601549 0.90 KDR (0.54) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL3589289 0.87 BRAF (0.60) KDRBRAFMAPK14TNNI3KPLK4
SCHEMBL3603688 0.85 KDR (0.49) KDRBRAFTEKRAF1
SCHEMBL6017011 0.85 FAAH (0.51) KDRBRAFMAPTNTRK1RAF1
SCHEMBL3602119 0.84 KDR (0.49) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL3588092 0.84 NPC1 (0.51) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL13408255 0.82 BRAF (0.49) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL3593297 0.82 BRAF (0.48) KDRBRAFMAPK14TNNI3KRXFP1
SCHEMBL3594026 0.82 CBLB (0.53) KDRBRAFMAPK14TNNI3KRET

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 843/4885BRAF 1/4885MAPK14 28/4885

“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.