SCHEMBL1657024

SCHEMBL1657024

CCOC(=O)CN1C(=O)c2ccc(Oc3ccc(O)cc3)cc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.63
LPAR1 Q92633 1/20 0.63
PIN1 Q13526 1/20 0.60
PIN4 Q9Y237 1/20 0.60
TDP1 Q9NUW8 2/20 0.59
AKR1B1 P15121 1/20 0.54
ALDH1A1 P00352 7/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.50
BRD4 O60885 1/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL523104 0.89 LPAR3 (0.62) LPAR3LPAR1PIN1PIN4TDP1
SCHEMBL1657226 0.87 LPAR3 (0.59) LPAR3LPAR1PIN1PIN4TDP1
SCHEMBL521934 0.87 PIN1 (0.70) LPAR3LPAR1PIN1PIN4AKR1B1
SCHEMBL1655971 0.85 LPAR1 (0.58) LPAR3LPAR1PIN1PIN4TDP1
SCHEMBL1655670 0.82 PIN1 (0.53) LPAR3LPAR1PIN1PIN4TDP1
SCHEMBL522944 0.80 PIN1 (0.68) LPAR3LPAR1PIN1PIN4ALDH1A1
SCHEMBL1658890 0.79 LPAR3 (0.50) LPAR3LPAR1PIN1PIN4TDP1
SCHEMBL1659129 0.79 LPAR1 (0.50) LPAR3LPAR1PIN1PIN4TDP1
SCHEMBL1657035 0.79 LPAR3 (0.50) LPAR3LPAR1PIN1PIN4TDP1
SCHEMBL526001 0.79 KMT2A (0.65) LPAR3LPAR1PIN1PIN4TDP1

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