SCHEMBL3589893

SCHEMBL3589893

O=C(Nc1ccc(Oc2ccncc2)cc1)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
BRAF P15056 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
TLR8 Q9NR97 10/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
TLR7 Q9NYK1 2/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
ABL1 P00519 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
PTGES O14684 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
SCHEMBL3593297 0.91 BRAF (0.48) KDRBRAFMAPK14TNNI3KTLR8
SCHEMBL3594514 0.90 ALDH1A1 (0.52) KDRTLR8KMT2AATMTLR7
SCHEMBL3587532 0.86 HIF1A (0.46) KDRKMT2AJAK2JAK1TYK2
SCHEMBL3604416 0.82 GRM5 (0.48) KMT2APTGES
SCHEMBL4164494 0.81 KDR (0.59) KDRBRAFMAPK14TNNI3KPTGES
SCHEMBL3601549 0.81 KDR (0.54) KDRBRAFMAPK14TNNI3KJAK2
SCHEMBL3605396 0.80 KDR (0.54) KDRBRAFMAPK14TNNI3KKMT2A
SCHEMBL3588802 0.75 KDR (0.53) KDRTLR8KMT2AJAK2JAK1
SCHEMBL3594026 0.72 CBLB (0.53) KDRBRAFMAPK14TNNI3KTYK2
SCHEMBL13408241 0.72 FAAH (0.55) KMT2ASMN1; SMN2

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.