SCHEMBL2560922

SCHEMBL2560922

COCCOc1cccc(CN)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 3/20 0.47
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL6044078 0.91 KDM4E (0.52) MAOBKDM4EALDH1A1TAAR1NOS1
SCHEMBL6088496 0.87 MAOB (0.51) MAOBKDM4EALDH1A1TAAR1NOS1
SCHEMBL26985792 0.86 TAAR1 (0.67) MAOBKDM4EALDH1A1TAAR1
SCHEMBL20553118 0.85 KDM4E (0.48) MAOBKDM4ETAAR1NOS1NOS2
SCHEMBL6489910 0.84 MAOB (0.54) MAOBTAAR1NOS1NOS2LOXL2
SCHEMBL2538910 0.84 DHFR (0.54) MAOBKDM4EALDH1A1TAAR1NOS1
SCHEMBL4487459 0.84 KDM4E (0.68) KDM4EALDH1A1MAPK1CYP1A2CYP2D6
SCHEMBL2207482 0.83 TAAR1 (0.54) MAOBKDM4EALDH1A1TAAR1MAPK1
SCHEMBL12408537 0.83 PRSS1 (0.51) MAOBKDM4EALDH1A1NOS1NOS2
SCHEMBL15723552 0.82 MAPK1 (0.58) MAOBKDM4EALDH1A1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2024-10-31 US disclosed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
US-20240139164-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-05-02 US disclosed
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-25 US disclosed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed
US-11866431-B2 Bicyclic compounds VIVACE THERAPEUTICS, INC. (US) 2024-01-09 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
WO-2012135697-A2 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE INC. (US) 2012-10-04 WO disclosed
WO-2011130740-A2 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2011-10-20 WO disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 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 (8 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-11866431-B2 Bicyclic compounds YAP1, MYC, TEAD2 MAOB 3869/4885KDM4E 1683/4885ALDH1A1 2731/4885
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA MAOB 1469/4885KDM4E 1273/4885ALDH1A1 3573/4885
US-20240139164-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR MAOB 4115/4885KDM4E 1565/4885ALDH1A1 4627/4885
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT MAOB 1132/4885KDM4E 1134/4885ALDH1A1 4453/4885
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR MAOB 4115/4885KDM4E 1565/4885ALDH1A1 4627/4885
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 MAOB 1669/4885KDM4E 1488/4885ALDH1A1 872/4885
US-11819476-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR MAOB 4268/4885KDM4E 1179/4885ALDH1A1 4445/4885
US-20240360113-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS ITGB3, ITGA2, ITGAV MAOB 2688/4885KDM4E 3592/4885ALDH1A1 1217/4885

“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.