SCHEMBL1659129

SCHEMBL1659129

CCOC(=O)CN1C(=O)c2ccc(Oc3ccc4nc(C)sc4c3)cc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
PIN1 Q13526 1/20 0.50
PIN4 Q9Y237 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
P2RX3 P56373 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1656751 0.84 MAPT (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL1658890 0.80 LPAR3 (0.50) LPAR1LPAR3PIN1PIN4TDP1
SCHEMBL1657024 0.79 LPAR3 (0.63) LPAR1LPAR3PIN1PIN4TDP1
SCHEMBL523104 0.78 LPAR3 (0.62) LPAR1LPAR3PIN1PIN4TDP1
SCHEMBL1657226 0.76 LPAR3 (0.59) LPAR1LPAR3PIN1PIN4TDP1
SCHEMBL1656384 0.75 LPAR3 (0.47) LPAR1LPAR3PIN1PIN4TDP1
SCHEMBL1655670 0.74 PIN1 (0.53) LPAR1LPAR3PIN1PIN4TDP1
SCHEMBL1655971 0.73 LPAR1 (0.58) LPAR1LPAR3PIN1PIN4TDP1
SCHEMBL523639 0.72 PIN1 (0.68) PIN1PIN4KMT2AMEN1ALDH1A1
SCHEMBL1657035 0.71 LPAR3 (0.50) LPAR1LPAR3PIN1PIN4TDP1

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 10 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
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 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 (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 LPAR1 3708/4885LPAR3 3272/4885PIN1 912/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PIN1 654/4885
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PIN1 654/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PIN1 654/4885
US-20110212959-A1 Cyanoisoquinoline Compounds and Methods of Use Thereof HIF1AN, HIF1A, EGLN3 LPAR1 3790/4885LPAR3 3295/4885PIN1 654/4885

“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.