SCHEMBL3796332

SCHEMBL3796332

C(#Cc1cccnc1)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.67
CYP2C9 P11712 3/20 0.65
CYP2B6 P20813 3/20 0.65
CYP2C19 P33261 3/20 0.65
CYP2D6 P10635 3/20 0.65
CYP2E1 P05181 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP1A2 P05177 2/20 0.63
CYP2C8 P10632 1/20 0.63
CHRNB2 P17787 5/20 0.61
CHRNA4 P43681 5/20 0.61
GRM5 P41594 5/20 0.60

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
SCHEMBL13907278 0.95 CYP2A6 (0.62) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL31673222 0.93 GRM5 (0.64) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL401836 0.93 GRM5 (0.64) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL31673242 0.91 CYP2A6 (0.58) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL5368902 0.85
SCHEMBL21252739 0.85
SCHEMBL15302246 0.85
SCHEMBL4038063 0.85
SCHEMBL7834182 0.85
SCHEMBL4033948 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257076-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS cGAS INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-08-14 US disclosed
US-20150273457-A1 HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS NATIONAL SCIENCE FOUNDATION 2015-10-01 US disclosed
US-20150273457-A1 HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS NATIONAL SCIENCE FOUNDATION 2015-10-01 US disclosed
US-8993804-B2 Highly active multidentate catalysts for efficient alkyne metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-03-31 US disclosed
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
US-8993804-B2 Highly active multidentate catalysts for efficient alkyne metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-03-31 US disclosed
US-8993470-B2 Catalysts for the alkyne metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-31 US disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
EP-2556078-B1 CATALYSTS FOR ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-09-24 EP disclosed
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-10-03 US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 US disclosed
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2013-06-06 US disclosed
US-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 US disclosed
US-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 US disclosed
US-20100222432-A1 Synthetic Carbon Nanotubes KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2010-09-02 US disclosed
US-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 US disclosed
WO-2008048227-A2 SYNTHETIC CARBON NANOTUBES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-04-24 WO disclosed
WO-2008048227-A2 SYNTHETIC CARBON NANOTUBES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-04-24 WO disclosed
US-7186380-B2 Transistor and sensors made from molecular materials with electric dipoles HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-03-06 US disclosed
US-7186380-B2 Transistor and sensors made from molecular materials with electric dipoles HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-03-06 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 (6 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-20100222432-A1 Synthetic Carbon Nanotubes CYCS, CHN2, TUBA3C CYP2A6 3737/4885CYP2C9 2069/4885CYP2B6 3474/4885
US-20150273457-A1 HIGHLY ACTIVE MULTIDENTATE CATALYSTS FOR EFFICIENT ALKYNE METATHESIS PCNA, TRIM58, CAD CYP2A6 2625/4885CYP2C9 3445/4885CYP2B6 2471/4885
US-20090082574-A1 Metallacycles and methods of making the same SOD1, PMS2, MEN1 CYP2A6 380/4885CYP2C9 1245/4885CYP2B6 852/4885
US-20130144102-A1 CATALYSTS FOR THE ALKYNE METATHESIS MSH6, AP3M1, PMS2 CYP2A6 796/4885CYP2C9 1880/4885CYP2B6 444/4885
US-20130261295-A1 Highly Active Multidentate Catalysts for Efficient Alkyne Metathesis PCNA, TRIM58, CAD CYP2A6 2625/4885CYP2C9 3445/4885CYP2B6 2471/4885
US-20250257076-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AS cGAS INHIBITORS CGAS, SSB, FPGS CYP2A6 3603/4885CYP2C9 1642/4885CYP2B6 4016/4885

“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.