SCHEMBL3594364

SCHEMBL3594364

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.52
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.47
LMNA P02545 8/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
GLA P06280 1/20 0.43
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL3597914 0.89 RAF1 (0.51) EGLN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13408251 0.82 ADRB2 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3670190 0.81 HIF1A (0.48) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL3587532 0.78 HIF1A (0.46) EGLN1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14340280 0.76 KCNQ3 (0.55) EGLN1
SCHEMBL14516688 0.74 EGLN1 (0.56) EGLN1LMNARHEB
SCHEMBL3605396 0.74 KDR (0.54) MEN1KMT2ACCNCCDK8
SCHEMBL3588802 0.72 KDR (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL9670701 0.71 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL30828589 0.70 GAA (0.70) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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 4 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
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 EGLN1 626/4885ALDH1A1 1318/4885SMN1; SMN2 4378/4885

“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.