SCHEMBL3587532

SCHEMBL3587532

O=C(Nc1ccc(Cc2ccncc2)cc1)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.46
EPAS1 Q99814 2/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EGLN1 Q9GZT9 3/20 0.44
LMNA P02545 4/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
NAMPT P43490 1/20 0.42
PTGES O14684 2/20 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
SCHEMBL3589893 0.86 KDR (0.49) JAK2JAK1TYK2KMT2ASMN1; SMN2
SCHEMBL3670190 0.81 HIF1A (0.48) HIF1AEPAS1JAK2JAK1TYK2
SCHEMBL3597914 0.80 RAF1 (0.51) HIF1AEPAS1TYK2ALDH1A1MEN1
SCHEMBL3593297 0.79 BRAF (0.48) MAPK1KDRPTGES
SCHEMBL3594514 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL3594364 0.78 EGLN1 (0.52) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL3604416 0.74 GRM5 (0.48) MEN1KMT2APTGESTSHRNPC1
SCHEMBL13408251 0.72 ADRB2 (0.56) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL12319343 0.72 EGLN1 (0.58) CACNA1HEGLN1CBFB
SCHEMBL16620818 0.71 NAMPT (0.61) MEN1KMT2ASMN1; SMN2LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HIF1A 955/4885EPAS1 641/4885CACNA1G 4638/4885

“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.