SCHEMBL4004334

SCHEMBL4004334

[c]1nn[nH]c1-c1ccon1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1445307 0.69
SCHEMBL3082762 0.68 NPC1 (0.42) CHRM1NPC1RAB9AMDM2CYP1A2
SCHEMBL6210756 0.65 NPC1 (0.33) CHRM1NPC1RAB9AMDM2CYP1A2
SCHEMBL1169059 0.64 KDM4E (0.34) CHRM1NPC1RAB9ACYP1A2CYP2D6
SCHEMBL8050156 0.63 CHRM1 (0.34) CHRM1NPC1RAB9AMDM2CYP1A2
SCHEMBL15961413 0.63 CHRM1 (0.34) CHRM1NPC1RAB9AMDM2CYP1A2
SCHEMBL115772 0.62 NPC1 (0.34) NPC1RAB9AMDM2
SCHEMBL11192712 0.62 GSK3B (0.54) NPC1RAB9ACYP1A2CYP19A1CYP2C9
SCHEMBL4059081 0.62 CYP1A2 (0.57) CHRM1NPC1RAB9AMDM2CYP1A2
SCHEMBL4794205 0.61 CYP1A2 (0.30) CHRM1NPC1RAB9ACYP1A2CYP2D6

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-9023844-B2 Heterocyclylpyri (mi) dinylpyrazole as fungicidals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-05 US claimed
US-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US claimed
EP-2763987-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS Bayer Intellectual Property GmbH (DE) 2014-08-13 EP claimed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO claimed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
EP-3294747-B1 RUTHENIUM COMPLEXES, METHOD OF PRODUCING THEM, AND THEIR USE UNIV WARSZAWSKI (PL) 2021-02-24 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
EP-3294747-A1 RUTHENIUM COMPLEXES, METHOD OF PRODUCING THEM, AND THEIR USE Uniwersytet Warszawski (PL) 2018-03-21 EP disclosed
WO-2016092424-A1 RUTHENIUM COMPLEXES, METHOD OF PRODUCING THEM, AND THEIR USE UNIWERSYTET WARSZAWSKI (PL) 2016-06-16 WO disclosed
US-9299936-B2 Organic light-emitting diode including multi-layered hole transporting layer, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-29 US disclosed
US-9257653-B2 2016-02-09 US disclosed
WO-2013050437-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-11 WO disclosed
EP-1740532-A4 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF UNIV CALIFORNIA (US) 2009-06-10 EP disclosed
EP-1740532-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF The Regents of the University of California (US) 2007-01-10 EP disclosed
WO-2005094374-A2 HYDRAZIDE-CONTAINING CFTR INHIBITOR COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 WO disclosed
EP-0680323-B1 SYNERGISING ASSOCIATION HAVING AN ANTAGONIST EFFECT ON NK1 AND NK2 RECEPTORS RHONE POULENC RORER SA (FR) 1997-04-02 EP disclosed
WO-1996019486-A1 CERTAIN TETRAZOLE DERIVATIVES NOVARTIS AG (CH) 1996-06-27 WO disclosed
EP-0680323-A1 SYNERGISING ASSOCIATION HAVING AN ANTAGONIST EFFECT ON NK1 AND NK2 RECEPTORS. RHONE POULENC RORER SA (FR) 1995-11-08 EP disclosed
WO-1994016697-A1 SYNERGISING ASSOCIATION HAVING AN ANTAGONIST EFFECT ON NK1 AND NK2 RECEPTORS RHONE-POULENC RORER S.A. (FR) 1994-08-04 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 (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-20140256677-A1 HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS CCNY, NQO2, H1-0 CHRM1 73/4885NPC1 4210/4885RAB9A 1915/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CHRM1 3787/4885NPC1 830/4885RAB9A 860/4885

“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.