SCHEMBL12367362

SCHEMBL12367362

Cc1ccc2c(c1)CN(C(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 1/20 0.45
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NAMPT P43490 3/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
METAP1 P53582 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34

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
SCHEMBL10263983 0.85 HRH3 (0.49) KCNH2DPP8DPP9DPP7LMNA
SCHEMBL13499613 0.85 HRH3 (0.43) KCNH2DPP8DPP9DPP7LMNA
SCHEMBL18033543 0.82 HRH3 (0.52) KCNH2DPP8DPP9DPP7MEN1
SCHEMBL12938174 0.79 TMEM97 (0.35) KCNH2TMEM97SIGMAR1MEN1KMT2A
SCHEMBL18033524 0.78 METAP1 (0.40) KCNH2DPP8DPP9DPP7LMNA
SCHEMBL20665096 0.78 TMEM97 (0.47) KCNH2TMEM97SIGMAR1ALDH1A1
SCHEMBL1686844 0.78 DPP8 (0.47) KCNH2DPP8DPP9DPP7TMEM97
SCHEMBL10057635 0.78 KCNH2 (0.59) KCNH2DPP8DPP9DPP7TMEM97
SCHEMBL2741633 0.78 NPSR1 (0.41) KCNH2TMEM97SIGMAR1LMNAGAA
SCHEMBL24124014 0.77 KCNH2 (0.37) KCNH2DPP8DPP9DPP7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024081345-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-04-18 WO disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-09-14 US disclosed
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 US disclosed
US-20230159512-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2023-05-16 US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 US disclosed
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 WO disclosed
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO disclosed
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-9708347-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20150361098-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2015-12-17 US disclosed
US-20110207734-A1 Azine Derivatives and Methods of Use Thereof PALANI ANANDAN 2011-08-25 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 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 (15 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-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT KCNH2 3115/4885DPP8 156/4885DPP9 123/4885
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 KCNH2 4004/4885DPP8 1453/4885DPP9 933/4885
US-20110207734-A1 Azine Derivatives and Methods of Use Thereof AZI2, GPR119, GID4 KCNH2 414/4885DPP8 452/4885DPP9 408/4885
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 KCNH2 1700/4885DPP8 3631/4885DPP9 4605/4885
US-20230286960-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, AKT3, PIK3R1 KCNH2 2353/4885DPP8 2659/4885DPP9 2172/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 KCNH2 832/4885DPP8 4493/4885DPP9 4695/4885
US-20230159512-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR KCNH2 2656/4885DPP8 29/4885DPP9 35/4885
US-20150361098-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 KCNH2 1429/4885DPP8 2719/4885DPP9 3347/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H KCNH2 29/4885DPP8 3593/4885DPP9 3941/4885
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 KCNH2 3343/4885DPP8 3270/4885DPP9 1777/4885
US-11649227-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, AKT3, PIK3R1 KCNH2 2353/4885DPP8 2659/4885DPP9 2172/4885
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 KCNH2 1372/4885DPP8 2595/4885DPP9 3238/4885
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 KCNH2 3151/4885DPP8 838/4885DPP9 689/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 KCNH2 4811/4885DPP8 798/4885DPP9 731/4885
US-10011615-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with A2A anatagonist properties ADORA2A, ADORA3, ADORA1 KCNH2 1466/4885DPP8 3110/4885DPP9 3638/4885

“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.