SCHEMBL3716799

SCHEMBL3716799

CCCc1cccnc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
BRD4 O60885 1/20 0.40
GRM5 P41594 1/20 0.40
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.38
NR2F2 P24468 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL11042558 0.90 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL17503485 0.89 BID (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2516051 0.87 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL14786046 0.87 BID (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31500502 0.87 BID (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4024006 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL3673649 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL22653038 0.84 KDM4E (0.64) KDM4EALDH1A1MAPTCYP1A2GRM5
SCHEMBL10932333 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL31252478 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424155-A Method for producing carbonate ester and catalyst structure for producing carbonate ester 日本制铁株式会社 2021-02-26 CN disclosed
CN-105308036-B The Compounds and methods for and its indication adjusted for kinases 普莱希科公司 2019-06-21 CN disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
EP-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed
EP-0674176-B1 Luminescent rhenium complexes and methods of production IGEN INT INC (US) 2004-02-04 EP disclosed
US-6468741-B1 Electrochemiluminescent rhenium moieties IGEN INTERNATIONAL, INC. 2002-10-22 US disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
US-5811236-A QUANTITATIVE, QUALITATIVE ANALYSIS IGEN INTERNATIONAL, INC. (US) 1998-09-22 US disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO disclosed
US-5716781-A FORMING A SOLUTION CONTAINING AN ANALYTE COMPRISING FIRST CHEMILUMINESCENT COMPLEX AND AN INTERNAL STANDARD CONTAINING OSMIUM BIPYRIDYL COMPLEX, INDEPENDENTLY MEASURING ELECTROLUMINESCENCE EMITTED BY ANALYTE AND STANDARD IGEN INTERNATIONAL INC. (US) 1998-02-10 US disclosed
US-5591581-A Electrochemiluminescent rhenium moieties and methods for their use IGEN, INC. (US) 1997-01-07 US disclosed
EP-0339086-B1 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS IGEN INC (US) 1996-09-11 EP disclosed
EP-0674176-A1 Electrochemiluminescent rhenium moieties and methods of production IGEN, INC. (US) 1995-09-27 EP disclosed
EP-0339086-A4 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS. IGEN INC (US) 1990-02-20 EP disclosed
EP-0339086-A1 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS IGEN, INC. (US) 1989-11-02 EP disclosed
WO-1989004302-A1 ELECTROCHEMILUMINESCENT RHENIUM MOIETIES AND METHODS IGEN, INC. (US) 1989-05-18 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 (1 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-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, KYNU, IDO2 KDM4E 1209/4885ALDH1A1 911/4885HPGD 81/4885

“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.