SCHEMBL4140334

SCHEMBL4140334

COC(=O)c1cnc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
RHEB Q15382 1/20 0.49
CHEK2 O96017 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
IKBKE Q14164 7/20 0.42
TBK1 Q9UHD2 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KIF11 P52732 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL4156009 0.91 MMP2 (0.43) AURKAMMP2MMP9MMP8MMP13
SCHEMBL4148154 0.88 AURKA (0.52) AURKAMMP2MMP9MMP8MMP13
SCHEMBL4160495 0.86 MMP2 (0.71) MMP2MMP9MMP8MMP13HDAC6
SCHEMBL4146845 0.85 HDAC6 (0.52) AURKAHDAC6CHEK2PTGDR2IKBKE
SCHEMBL13751682 0.85 AURKA (0.52) AURKAHDAC6RHEBSMN1; SMN2KDM4E
SCHEMBL4551530 0.83 AURKA (0.52) AURKAHDAC6CHEK2PTGDR2IKBKE
SCHEMBL13741764 0.81 KDM4E (0.67) MMP2MMP9MMP8MMP13HDAC6
SCHEMBL4147990 0.80 AURKA (0.49) AURKAHDAC6CHEK2PTGDR2IKBKE
SCHEMBL4162132 0.78 AURKA (0.53) AURKAHDAC6CHEK2PTGDR2SMN1; SMN2
SCHEMBL4151626 0.78 AURKA (0.43) AURKAMMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP claimed
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-22 US claimed
US-20090209540-A1 Novel Biaryl Benzolmidazole Derivatives and Pharmaceutical Composition Comprising The Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-08-20 US claimed
EP-2054405-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-05-06 EP claimed
WO-2008007900-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-01-17 WO claimed
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
CN-101490037-B Biaryl benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA 2013-06-12 CN 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
CN-101490037-A Novel biaryl benzimidazole derivatives and pharmaceutical compositions containing the same DAE WOONG PHARMA (KR) 2009-07-22 CN disclosed
EP-2054405-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-05-06 EP disclosed
WO-2008007900-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-01-17 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 (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 3675/4885MMP2 1846/4885MMP9 3310/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 AURKA 3319/4885MMP2 2548/4885MMP9 4054/4885

“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.