SCHEMBL1656754

SCHEMBL1656754

CCCCOC(=O)c1nc(C#N)c2ccc(Oc3ccc4nc(N5CCOCC5)sc4c3)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LRRK2 Q5S007 1/20 0.40
EGLN2 Q96KS0 3/20 0.40
EGLN1 Q9GZT9 2/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1658885 0.90 AR (0.45) ARNPC1RAB9ALRRK2GAA
SCHEMBL1656505 0.89 AR (0.43) ARNPC1RAB9ALRRK2GAA
SCHEMBL1656714 0.89 AR (0.45) ARNPC1RAB9ALRRK2GAA
SCHEMBL1656731 0.84 EGLN2 (0.46) EGLN2EGLN1
SCHEMBL1656000 0.83 EGLN2 (0.50) EGLN2EGLN1
SCHEMBL1656705 0.77 EGLN2 (0.56) EGLN2EGLN1
SCHEMBL1657026 0.77 EGLN2 (0.61) EGLN2EGLN1
SCHEMBL1656139 0.76 EGLN2 (0.44) EGLN2EGLN1
SCHEMBL1656376 0.76 EGLN2 (0.51) EGLN2EGLN1
SCHEMBL1655807 0.76 EGLN2 (0.57) EGLN2EGLN1

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-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 3449/4885NPC1 2027/4885RAB9A 4769/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3153/4885NPC1 1650/4885RAB9A 4712/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3153/4885NPC1 1650/4885RAB9A 4712/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3153/4885NPC1 1650/4885RAB9A 4712/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 AR 3153/4885NPC1 1650/4885RAB9A 4712/4885

“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.