SCHEMBL3601549

SCHEMBL3601549

O=C(Nc1ccc(Oc2ccncc2)cc1)c1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.54
BRAF P15056 4/20 0.54
MAPK14 Q16539 3/20 0.54
TNNI3K Q59H18 3/20 0.54
TEK Q02763 7/20 0.46
RAF1 P04049 2/20 0.45
JAK2 O60674 2/20 0.45
TYK2 P29597 2/20 0.45
JAK1 P23458 1/20 0.45
BRD4 O60885 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
MTOR P42345 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 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
SCHEMBL3589751 0.90 KDR (0.53) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL3588092 0.89 NPC1 (0.51) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL13408250 0.86 KDR (0.65) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL3670190 0.85 HIF1A (0.48) KDRRAF1JAK2TYK2JAK1
SCHEMBL3588802 0.84 KDR (0.53) KDRTEKRAF1JAK2TYK2
SCHEMBL3605396 0.83 KDR (0.54) KDRBRAFMAPK14TNNI3KTEK
SCHEMBL13408241 0.81 FAAH (0.55) LMNAMAPT
SCHEMBL3589893 0.81 KDR (0.49) KDRBRAFMAPK14TNNI3KJAK2
SCHEMBL3596312 0.81 NPC1 (0.50) KDRTEKRAF1MAPT
SCHEMBL3589749 0.80 BRAF (0.46) KDRBRAFMAPK14TNNI3KRAF1

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.