SCHEMBL12158

SCHEMBL12158

Cc1nc2ccc(Br)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
NR1H2 P55055 7/20 0.39
FABP4 P15090 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
BACE1 P56817 2/20 0.37
PPARA Q07869 1/20 0.37
NR1H3 Q13133 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL30847402 1.00 USP30 (0.39) USP30CCNB2CDK1CCNB1GSK3B
SCHEMBL3756850 0.89 CCNB2 (0.41) USP30CCNB2CDK1CCNB1GSK3B
SCHEMBL2724339 0.85 NR1H2 (0.40) USP30CCNB2CDK1CCNB1GSK3B
SCHEMBL7480954 0.85 ESR2 (0.41) NR1H2NR1H3ALDH1A1KMT2A
SCHEMBL482136 0.83 BACE1 (0.40) USP30CCNB2CDK1CCNB1GSK3B
SCHEMBL6785980 0.83 TDP1 (0.47) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL858378 0.82 USP30 (0.37) USP30CCNB2CDK1CCNB1GSK3B
SCHEMBL16460751 0.82 DCTPP1 (0.36) NR1H2NR1H3ALDH1A1KMT2A
SCHEMBL14920239 0.81 BACE1 (0.41) USP30CCNB2CDK1CCNB1GSK3B
SCHEMBL133464 0.80 ALDH1A1 (0.57) MAPTGAANR1H2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360095-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2024-10-31 US disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-20200239427-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2020-07-30 US disclosed
US-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-10-15 US disclosed
EP-2496567-B1 NOVEL BENZOPYRAN KINASE MODULATORS RHIZEN PHARMACEUTICALS S A (CH) 2017-07-12 EP disclosed
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
US-20160318890-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2016-11-03 US disclosed
WO-2010135568-A1 BENZOXAZEPINES AS INHIBITORS OF MTOR AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2079747-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS Pfizer Limited (GB) 2009-07-22 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
WO-2008044127-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANABOLIC AGENTS FOR LIVESTOCK ANIMALS PFIZER LIMITED (GB) 2008-04-17 WO 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 (7 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-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases PIK3CB, PIK3CD, PDPK1 USP30 1807/4885CCNB2 1257/4885CDK1 164/4885
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA USP30 2702/4885CCNB2 2956/4885CDK1 237/4885
US-20240360095-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB USP30 1370/4885CCNB2 2630/4885CDK1 340/4885
US-20200239427-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB USP30 1370/4885CCNB2 2630/4885CDK1 340/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A USP30 3776/4885CCNB2 603/4885CDK1 86/4885
US-20160318890-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB USP30 1370/4885CCNB2 2630/4885CDK1 340/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 USP30 2132/4885CCNB2 1249/4885CDK1 323/4885

“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.