SCHEMBL1912979

SCHEMBL1912979

CC(C)c1ccnc(C(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL18532053 0.84 ADORA2A (0.31) ADORA2AADORA1
SCHEMBL1091072 0.84 CHRNA7 (0.32) CHRNA7IDH1IDH2
SCHEMBL22314815 0.84 CHRNA7 (0.35) CHRNA7IDH1IDH2POLB
SCHEMBL25636065 0.84 IDH1 (0.38) CHRNA7IDH1IDH2RXRAGRIN1
SCHEMBL20890457 0.84 IDH1 (0.38) CHRNA7IDH1IDH2RXRAGRIN1
SCHEMBL31691837 0.84 IDH1 (0.38) CHRNA7IDH1IDH2RXRAGRIN1
SCHEMBL2632757 0.82 IDH1 (0.49) CHRNA7IDH1IDH2RXRAGRIN1
SCHEMBL23767706 0.81
SCHEMBL24620453 0.80 IDH1 (0.33) CHRNA7IDH1IDH2RXRAGRIN1
SCHEMBL13306228 0.79 SMN1; SMN2 (0.43) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-02-29 US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 US disclosed
US-20130143906-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2013-06-06 US disclosed
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 CHRNA7 4756/4885IDH1 267/4885IDH2 809/4885
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 CHRNA7 4208/4885IDH1 1152/4885IDH2 711/4885
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 CHRNA7 118/4885IDH1 2386/4885IDH2 1799/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CHRNA7 3809/4885IDH1 1117/4885IDH2 3040/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 CHRNA7 4582/4885IDH1 707/4885IDH2 1809/4885
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 CHRNA7 3538/4885IDH1 2573/4885IDH2 2376/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR CHRNA7 624/4885IDH1 4601/4885IDH2 4530/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CHRNA7 4863/4885IDH1 1170/4885IDH2 1820/4885
US-20120214823-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 CHRNA7 4679/4885IDH1 1012/4885IDH2 2561/4885
US-20130143906-A1 SUBSTITUTED PYRIMIDINONE-PHENYL-PYRIMIDINYL COMPOUNDS MAP3K8, MAP3K1, MAP3K2 CHRNA7 4644/4885IDH1 913/4885IDH2 1133/4885
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT CLN6, ALDH1A2, PDE6D CHRNA7 1320/4885IDH1 1877/4885IDH2 949/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA CHRNA7 2029/4885IDH1 2913/4885IDH2 3275/4885
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR CHRNA7 1139/4885IDH1 4772/4885IDH2 4778/4885
US-20240067633-A1 KETOHEXOKINASE INHIBITOR AND USE THEREOF KHK, GCK, HK1 CHRNA7 4334/4885IDH1 293/4885IDH2 597/4885
US-20130096127-A1 SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS MME, AGTR1, REN CHRNA7 408/4885IDH1 1581/4885IDH2 3090/4885

“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.