SCHEMBL7196848

SCHEMBL7196848

CCc1cccc(CC#N)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
MMP3 P08254 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 1/20 0.43
TP53 P04637 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CTSB P07858 1/20 0.40
CYP2A6 P11509 2/20 0.40
USP7 Q93009 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
FFAR1 O14842 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
SCHEMBL237972 0.89 ENPP2 (0.63) ENPP2MMP3MEN1KMT2AKDM4E
Benzene SCHEMBL5438521 0.86 ENPP2 (0.61) ENPP2MMP3MEN1KMT2AKDM4E
Acetonitrile SCHEMBL27581407 0.84 MEN1 (0.48) MEN1KMT2AMGLLTP53CYP1A2
SCHEMBL7779407 0.83 MEN1 (0.55) ENPP2MMP3MEN1KMT2AKDM4E
SCHEMBL5201126 0.81 KDM4E (0.43) ENPP2MMP3MEN1KMT2AKDM4E
SCHEMBL166894 0.81 TP53 (0.61) MGLLTP53CYP1A2CYP2A6
SCHEMBL20940016 0.80 MEN1 (0.52) ENPP2MMP3MEN1KMT2AKDM4E
SCHEMBL21974408 0.79 MEN1 (0.80) ENPP2MEN1KMT2AMGLLTP53
SCHEMBL23588049 0.79 LPL (0.51) ENPP2MMP3MEN1KMT2ATDP1
Cyanide SCHEMBL27571922 0.79 TP53 (0.52) MEN1KMT2AMGLLTP53CYP1A2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 US disclosed
WO-2021143923-A1 BORONIC ACID DERIVATIVES 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
EP-3424905-A1 HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2019-01-09 EP disclosed
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
US-9815852-B2 Macrocyclic compounds and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-11-14 US disclosed
US-20170197988-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-07-13 US disclosed
EP-2314637-B1 COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL COMPONENT, AND PRODUCTION METHOD OF COMPOSITION MITSUI CHEMICALS INC (JP) 2017-07-12 EP disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-07-22 US disclosed
US-20100056505-A1 Substituted Pyrazalones BIOGEN IDEC MA INC. 2010-03-04 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed
EP-0949247-B1 Process for the preparation of piperidinylidene derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-09-12 EP disclosed
US-6008358-A Process for the preparation of piperidinylidene derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-28 US disclosed
EP-0949247-A1 Process for the preparation of piperidinylidene derivatives Takasago International Corporation (JP) 1999-10-13 EP 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 (7 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA ENPP2 1244/4885MMP3 2130/4885MEN1 2542/4885
US-20100056505-A1 Substituted Pyrazalones ACVR1, ACVRL1, TGFBR1 ENPP2 459/4885MMP3 3502/4885MEN1 2718/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 ENPP2 1309/4885MMP3 1303/4885MEN1 2328/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 ENPP2 3151/4885MMP3 3850/4885MEN1 4604/4885
US-20170197988-A1 MACROCYCLIC COMPOUNDS AND METHODS OF TREATMENT MKI67, MCL1, CCNC ENPP2 218/4885MMP3 871/4885MEN1 237/4885
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ENPP2 1141/4885MMP3 1575/4885MEN1 2572/4885
US-20100184598-A1 4-AZA INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES IDO1, INMT, AZI2 ENPP2 3028/4885MMP3 1928/4885MEN1 1241/4885

“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.