SCHEMBL1655815

SCHEMBL1655815

Cc1cc(C)c(Oc2ccc(C#N)c(C#N)c2)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.68
CYP19A1 P11511 1/20 0.46
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PDE4B Q07343 1/20 0.40

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
SCHEMBL1656725 0.87 AR (0.54) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL522176 0.86 AR (0.68) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL20106821 0.85 AR (0.52) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL4175234 0.85 AR (0.63) AR
SCHEMBL3576096 0.82 AR (0.54) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL9847749 0.82 AR (0.49) ARCYP19A1
SCHEMBL4163778 0.82 AR (1.00) AR
SCHEMBL16167721 0.80 AR (0.70) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL4581525 0.79 CYP19A1 (0.65) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL29390509 0.79 CYP19A1 (0.65) ARCYP19A1MAOBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103382216-B Make the Cyanoisoquinoline compound that hypoxia inducible factor (HIF) is stable FIBROGEN INC. (US) 2016-04-20 CN disclosed
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2016-01-14 US disclosed
US-9174976-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2015-11-03 US disclosed
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2015-01-29 US disclosed
US-8759373-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2014-06-24 US disclosed
EP-2476669-A1 Cyanoisoquinoline compounds and methods of use thereof Fibrogen, Inc. (US) 2012-07-18 EP disclosed
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2012-07-12 US disclosed
EP-2044028-B1 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN INC (US) 2012-05-16 EP disclosed
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof FIBROGEN, INC. 2011-09-01 US disclosed
US-7928120-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2011-04-19 US disclosed
EP-2044028-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2009-04-08 EP disclosed
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 US disclosed
WO-2007090068-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2007-08-09 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 (5 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-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3449/4885CYP19A1 627/4885MAOB 748/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3153/4885CYP19A1 1309/4885MAOB 1624/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3153/4885CYP19A1 1309/4885MAOB 1624/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3153/4885CYP19A1 1309/4885MAOB 1624/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 AR 3153/4885CYP19A1 1309/4885MAOB 1624/4885

“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.