SCHEMBL3597914

SCHEMBL3597914

O=C(Nc1ccc(Cc2ccncc2)cc1)c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.51
KDR P35968 12/20 0.45
FLT1 P17948 12/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TYK2 P29597 1/20 0.43
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TSHR P16473 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL3594364 0.89 EGLN1 (0.52) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL3605396 0.86 KDR (0.54) RAF1KDRFLT1MEN1KMT2A
SCHEMBL3670190 0.83 HIF1A (0.48) RAF1KDRFLT1ALDH1A1TYK2
SCHEMBL3587532 0.80 HIF1A (0.46) KDRFLT1MEN1ALDH1A1HPGD
SCHEMBL3602119 0.79 KDR (0.49) RAF1KDRFLT1MEN1KMT2A
SCHEMBL3589610 0.79 RAF1 (0.53) RAF1KDRALDH1A1HPGDSMN1; SMN2
SCHEMBL13408251 0.77 ADRB2 (0.56) MEN1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL16628086 0.74 KDR (0.68) RAF1KDRFLT1MEN1KMT2A
SCHEMBL6030809 0.74 KDR (0.58) KDRFLT1MEN1ALDH1A1HPGD
SCHEMBL3594043 0.74 RAF1 (0.53) RAF1

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 3 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

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 RAF1 2/4885KDR 843/4885FLT1 627/4885

“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.