SCHEMBL15317792

SCHEMBL15317792

O=[N+]([O-])c1cnn(C2CCNC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 2/20 0.36
CYP3A7 P24462 2/20 0.36
CYP2C19 P33261 2/20 0.36
PDK4 Q16654 2/20 0.36
CYP3A43 Q9HB55 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
PNMT P11086 1/20 0.35
FSCN1 Q16658 1/20 0.35
MET P08581 1/20 0.35
KHK P50053 3/20 0.35
PAICS P22234 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL16985335 1.00 ROCK2 (0.37) ROCK2ROCK1CYP1A2CYP3A4CYP3A5
SCHEMBL16985304 1.00 ROCK2 (0.37) ROCK2ROCK1CYP1A2CYP3A4CYP3A5
Hydrochloric Acid SCHEMBL20476166 0.99 CYP1A2 (0.38) ROCK2ROCK1CYP1A2CYP3A4CYP3A5
Hydrochloric Acid SCHEMBL9951956 0.99 CYP1A2 (0.38) ROCK2ROCK1CYP1A2CYP3A4CYP3A5
Hydrochloric Acid SCHEMBL30475612 0.99 CYP1A2 (0.38) ROCK2ROCK1CYP1A2CYP3A4CYP3A5
SCHEMBL15709846 0.91 CYP1A2 (0.43) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
Hydrochloric Acid SCHEMBL22518572 0.90 CYP1A2 (0.44) CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19
SCHEMBL21639876 0.88 F2 (0.38) CYP2C19F2PLAUELANEL3MBTL1
Tert-Butyl Formate SCHEMBL28104950 0.87 KHK (0.35) ROCK2ROCK1CYP1A2CYP3A4CYP3A5
Tert-Butyl Formate SCHEMBL28104952 0.87 KHK (0.35) ROCK2ROCK1CYP1A2CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
EP-4522607-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-kB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
CN-119317626-A Pyrrolidone derivatives as inhibitors of NF- κb-induced kinase 詹森药业有限公司 2025-01-14 CN disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
CN-107912040-B Pyrrolidine amide compounds as histone demethylase inhibitors 基因泰克公司 2021-04-06 CN disclosed
EP-3722298-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR Oscotec Inc. (KR) 2020-10-14 EP disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
EP-3204379-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS Genentech, Inc. (US) 2017-08-16 EP disclosed
CN-105940004-A Compounds 葛兰素史密斯克莱知识产权发展有限公司 2016-09-14 CN disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
WO-2016057924-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS GENENTECH, INC. (US) 2016-04-14 WO disclosed
WO-2016057924-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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 (4 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-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB ROCK2 1040/4885ROCK1 780/4885CYP1A2 4324/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B ROCK2 908/4885ROCK1 795/4885CYP1A2 2204/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B ROCK2 811/4885ROCK1 713/4885CYP1A2 2554/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 ROCK2 1273/4885ROCK1 1557/4885CYP1A2 432/4885

“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.