SCHEMBL774510

SCHEMBL774510

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)NC(C)(C)c3nc4ccc(C(=O)N5CCOCC5)cc4[nH]3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
KDR P35968 2/20 0.39
SCD O00767 1/20 0.37
KCNH2 Q12809 7/20 0.36
SCN9A Q15858 3/20 0.36
RAB9A P51151 1/20 0.35
CYP3A4 P08684 2/20 0.35
SCN5A Q14524 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL774572 0.95 KCNH2 (0.38) NR1I2FGFR1FGFR2FGFR3KDR
SCHEMBL772904 0.92 PRKCA (0.39) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL772396 0.92 NR1I2 (0.38) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL773553 0.90 NR1I2 (0.40) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL772073 0.90 NR1I2 (0.39) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL772740 0.90 NR1I2 (0.37) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL772285 0.87 PRKCA (0.39) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL773682 0.87 NR1I2 (0.38) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL773906 0.86 NR1I2 (0.38) NR1I2KCNH2SCN9ACYP3A4SCN5A
SCHEMBL771871 0.86 NR1I2 (0.37) NR1I2KCNH2SCN9ACYP3A4SCN5A

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 7 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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NR1I2 1189/4885FGFR1 820/4885FGFR2 1355/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1I2 1189/4885FGFR1 820/4885FGFR2 1355/4885

“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.