SCHEMBL967538

SCHEMBL967538

NNC(=O)Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2C9 P11712 2/20 1.00
NAPRT Q6XQN6 1/20 0.62
MAPK8 P45983 1/20 0.56
RECQL P46063 1/20 0.56
EPHX2 P34913 1/20 0.55
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
GAA P10253 2/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.51
GLS O94925 3/20 0.51
SIGMAR1 Q99720 1/20 0.50
CYP2C19 P33261 1/20 0.49
CYP2D6 P10635 1/20 0.48

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
Hydrochloric Acid SCHEMBL2996773 0.98 CYP3A4 (0.97) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL6800466 0.84 CYP1A2 (0.72) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL5706616 0.83 CYP3A4 (0.71) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL7807329 0.83 CYP3A4 (0.71) CYP3A4CYP1A2CYP2C9RECQLGAA
SCHEMBL13647194 0.82 CYP1A2 (0.70) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL2568441 0.82 CYP1A2 (0.70) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL2568439 0.82 CYP1A2 (0.70) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL2757955 0.81 CYP1A2 (0.69) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL794394 0.79 NAPRT (0.69) CYP3A4CYP1A2CYP2C9NAPRTMAPK8
SCHEMBL29701327 0.79 NAPRT (0.69) CYP3A4CYP1A2CYP2C9NAPRTMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061475-B Many nitrogen schiff bases copper complex and its preparation method and application 山东理工大学 2017-03-01 CN claimed
CN-105061475-A Polynitrogen schiff base copper complex and preparation method and application thereof UNIV SHANDONG TECHNOLOGY 2015-11-18 CN claimed
EP-2167466-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR Glaxo Group Limited (GB) 2010-03-31 EP claimed
WO-2008148854-A1 GHRELIN MODULATORS GLAXO GROUP LIMITED (GB) 2008-12-11 WO claimed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO claimed
EP-1973907-A1 IMIDAZO (1,2-A)PYRIDIN-3-YL-ACETIC ACID HYDRAZIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL USES THEREOF Ferrer Internacional, S.A. (ES) 2008-10-01 EP claimed
WO-2007077159-A1 IMIDAZO (1,2-A)PYRIDIN-3-YL-ACETIC ACID HYDRAZIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL USES THEREOF FERRER INTERNACIONAL, S.A. (ES) 2007-07-12 WO claimed
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 US disclosed
CN-114989156-B Receptor interaction protein inhibitor and preparation method and application thereof 成都贝诺科成生物科技有限公司 2024-07-05 CN disclosed
US-11999732-B2 P2X3 receptor antagonists RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-04 US disclosed
CN-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 CN disclosed
CN-114989156-A Receptor interaction protein inhibitor and preparation method and application thereof 成都贝诺科成生物科技有限公司 2022-09-02 CN disclosed
EP-3823971-B1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-07-27 EP disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 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 (2 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-11999732-B2 P2X3 receptor antagonists P2RX3, P2RX5, P2RX2 CYP3A4 1950/4885CYP1A2 1123/4885CYP2C9 1053/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 CYP3A4 301/4885CYP1A2 168/4885CYP2C9 442/4885

“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.