SCHEMBL792267

SCHEMBL792267

COCc1ccc(C(=O)NCc2ccncc2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
MAPK14 Q16539 3/20 0.57
MMP13 P45452 3/20 0.49
ROCK2 O75116 6/20 0.48
ROCK1 Q13464 4/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PRKACA P17612 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PRKX P51817 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PRKCQ Q04759 1/20 0.47
NAMPT P43490 1/20 0.47
LMNA P02545 1/20 0.46
RPS6KA5 O75582 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCG P05129 1/20 0.46

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
SCHEMBL10283543 0.92 CYP3A4 (0.57) CYP3A4MAPK14MMP13ROCK2ROCK1
SCHEMBL13286252 0.89 MMP13 (0.49) CYP3A4MAPK14MMP13ROCK2ROCK1
SCHEMBL791678 0.82 HPGD (0.50) MMP13GAACYP2D6LMNAHTT
SCHEMBL803998 0.81 PSEN1 (0.51) CYP3A4ROCK2ROCK1GAACYP2D6
SCHEMBL13285983 0.81 MMP13 (0.49) CYP3A4MAPK14MMP13ROCK2ROCK1
SCHEMBL10283541 0.81 EGFR (0.55) ROCK2ROCK1ALDH1A1CYP2D6CYP2C9
SCHEMBL10283542 0.80 HTT (0.58) CYP3A4ROCK2ROCK1GAAALDH1A1
SCHEMBL792263 0.78 NPSR1 (0.46) MAPK14HTT
SCHEMBL13286179 0.78 HPGD (0.43) MAPK14ROCK2HTT
SCHEMBL27672843 0.77 MAPK14 (0.47) CYP3A4MAPK14MMP13ROCK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CYP3A4 1341/4885MAPK14 1489/4885MMP13 1559/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CYP3A4 1335/4885MAPK14 1325/4885MMP13 1796/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CYP3A4 1335/4885MAPK14 1325/4885MMP13 1796/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP3A4 1341/4885MAPK14 1489/4885MMP13 1559/4885

“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.