SCHEMBL2461273

SCHEMBL2461273

Cc1cc(-c2nncc3c(C(C)(C)C)c(OC(C)c4ncn[nH]4)nn23)no1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.57
GABRG2 P18507 6/20 0.57
GABRB3 P28472 6/20 0.57
GABRA5 P31644 6/20 0.57
GABRA3 P34903 6/20 0.57
GABRA2 P47869 6/20 0.57
GABRA4 P48169 2/20 0.57
GABRA6 Q16445 1/20 0.31

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
SCHEMBL7663093 0.87 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7671992 0.83 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7667388 0.82 GABRG2 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7665241 0.82 GABRG2 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12068741 0.73 GABRA1 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2461269 0.73 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7672131 0.72 GABRG2 (0.68) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7665902 0.72 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19575097 0.72 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7671983 0.72 GABRG2 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355638-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. (GB) 2002-03-12 US claimed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US disclosed
US-11083732-B2 Use of negative modulators of GABA receptors containing alpha5 subunits as fast acting antidepressants UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-08-10 US disclosed
US-10835513-B2 Methods and treatments for the learning and memory deficits associated with Noonan syndrome THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 US disclosed
EP-3125902-B1 USE OF NEGATIVE MODULATORS OF GABA RECEPTORS CONTAINING ALPHA5 SUBUNITS AS FAST ACTING ANTIDEPRESSANTS UNIV MARYLAND (US) 2020-09-16 EP disclosed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US disclosed
US-10206921-B2 Methods and compositions for treating a subject for central nervous system (CNS) injury THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-19 US disclosed
EP-3388433-A1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotech Co., Ltd (CN) 2018-10-17 EP disclosed
EP-3025716-B1 SUBSTANCE FOR TREATMENT OR RELIEF OF PAIN SHANGHAI INST BIOLOGICAL SCIENCES CAS (CN) 2018-04-04 EP disclosed
US-20160158194-A1 Methods and Treatments for the Learning and Memory Deficits Associated with Noonan Syndrome NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-09 US disclosed
EP-3025716-A1 SUBSTANCE FOR TREATMENT OR RELIEF OF PAIN Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences (CN) 2016-06-01 EP disclosed
US-20150374705-A1 Substances for treatment or relief of pain Shanghai Institues for Biological Sciences (CN) 2015-12-31 US disclosed
WO-2015153658-A2 USE OF NEGATIVE MODULATORS OF GABA RECEPTORS CONTAINING ALPHA5 SUBUNITS AS FAST ACTING ANTIDEPRESSANTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-10-08 WO disclosed
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-13 US disclosed
US-20120283323-A1 Treating Learning Deficits with Inhibitors of HMG CoA Reductase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-08 US disclosed
US-8222293-B2 Treating learning deficits with inhibitors of Hmg CoA reductase Regents of the University of Carolina (US) 2012-07-17 US disclosed
US-20110224278-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-15 US disclosed
US-20070299096-A1 Treating Learning Deficits With Inhibitors of Hmg CoA Reductase REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-27 US disclosed
US-6355638-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. (GB) 2002-03-12 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-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof GABRA5, CYP3A5, GABRA1 GABRA1 3/4885GABRG2 23/4885GABRB3 21/4885
US-20150374705-A1 Substances for treatment or relief of pain GABRB3, GABRB2, GABRB1 GABRA1 7/4885GABRG2 16/4885GABRB3 1/4885
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof GABRA5, CYP3A5, GABRA1 GABRA1 3/4885GABRG2 23/4885GABRB3 21/4885
US-20110224278-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA1 14/4885GABRG2 13/4885GABRB3 8/4885
US-10206921-B2 Methods and compositions for treating a subject for central nervous system (CNS) injury GABBR2, GABBR1, GABRR3 GABRA1 14/4885GABRG2 13/4885GABRB3 8/4885
US-20130150351-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 GABRA1 16/4885GABRG2 13/4885GABRB3 9/4885

“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.