SCHEMBL3310289

SCHEMBL3310289

CC(C)(C)C1CC(N)CN(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL19712361 0.82 CYP2D6 (0.36) GRM2ATMCYP2D6KCNH2HRH3
SCHEMBL6523733 0.81 SPR (0.32)
SCHEMBL19815798 0.80 GABRR1 (0.36) MMP2ANPEP
SCHEMBL16338418 0.79 ATM (0.35) ATMCYP2D6KCNH2HRH3
SCHEMBL16654344 0.75 EPHX2 (0.33)
SCHEMBL1907444 0.75
SCHEMBL6522699 0.75 PLA2G1B (0.38) MMP2ANPEP
SCHEMBL20745368 0.75 PLA2G1B (0.38) MMP2ANPEP
SCHEMBL20497839 0.75 PLA2G1B (0.38) MMP2ANPEP
SCHEMBL27171915 0.75 PLA2G1B (0.38) MMP2ANPEP

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2023-03-02 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-8815863-B2 Compounds and therapeutic use thereof for protein kinase inhibition SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2014-08-26 US disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION SHANGHAI HUAYU BIOTECH CO., LTD. (CN) 2012-09-13 US disclosed
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES ONCOTHERAPY SCIENCE, INC. (JP) 2011-12-08 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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 (9 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-20120232082-A1 NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION CHEK2, CHEK1, BUB1B GRM2 2903/4885MMP2 4687/4885ANPEP 3822/4885
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 GRM2 761/4885MMP2 2492/4885ANPEP 3551/4885
US-20110301146-A1 GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING 7-HYDROXY-BENZOIMIDAZOLE-4-YL-METHANONE DERIVATIVES GSK3B, GSK3A, GYS2 GRM2 1641/4885MMP2 2529/4885ANPEP 4433/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 GRM2 3132/4885MMP2 652/4885ANPEP 1030/4885
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 GRM2 4637/4885MMP2 1872/4885ANPEP 4585/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 GRM2 761/4885MMP2 2492/4885ANPEP 3551/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 GRM2 1479/4885MMP2 3154/4885ANPEP 3057/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 GRM2 2628/4885MMP2 1103/4885ANPEP 1402/4885
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CHEK1, CHEK2, BUB1B GRM2 3008/4885MMP2 4442/4885ANPEP 4035/4885

“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.