SCHEMBL13751682

SCHEMBL13751682

COC(=O)c1cnc(-c2ccc(-c3nc4ncccc4[nH]3)cc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.52
HPSE Q9Y251 2/20 0.52
RHEB Q15382 1/20 0.50
PRMT5 O14744 1/20 0.50
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAF1 P04049 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL13751478 0.90 HPSE (0.43) AURKAHPSERHEBPRMT5KDM4E
SCHEMBL13751459 0.87 PRMT5 (0.54) AURKAHPSEPRMT5
SCHEMBL13741764 0.85 KDM4E (0.67) HPSERHEBKDM4ENPC1ALDH1A1
SCHEMBL13751458 0.85 PRMT5 (0.50) AURKAHPSEPRMT5HDAC6
SCHEMBL4140334 0.85 AURKA (0.51) AURKARHEBKDM4ENPC1ALDH1A1
SCHEMBL13751456 0.80 PRMT5 (0.48) AURKAHPSEPRMT5
SCHEMBL4160495 0.79 MMP2 (0.71) RHEBKDM4ENPC1ALDH1A1LMNA
SCHEMBL13751683 0.78 METAP2 (0.45) AURKAHPSEPRMT5
SCHEMBL13751457 0.78 PRMT5 (0.49) AURKAHPSEPRMT5
SCHEMBL4157920 0.77 RHEB (0.55) RHEBKDM4ENPC1ALDH1A1LMNA

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
US-8940769-B2 Biaryl benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
EP-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP disclosed
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-22 US disclosed
US-8436022-B2 Biaryl benzolmidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-05-07 US disclosed
US-20090209540-A1 Novel Biaryl Benzolmidazole Derivatives and Pharmaceutical Composition Comprising The Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-08-20 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 (2 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-20090209540-A1 Novel Biaryl Benzolmidazole Derivatives and Pharmaceutical Composition Comprising The Same TRPV1, TRPV3, TRPV5 AURKA 3675/4885HPSE 4533/4885RHEB 2148/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 AURKA 3319/4885HPSE 4425/4885RHEB 1405/4885

“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.