SCHEMBL361749

SCHEMBL361749

CC(C)(C)OC(=O)NC1(c2ccc(C#N)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.40
AKT2 P31751 1/20 0.40
EGLN2 Q96KS0 1/20 0.38
PGR P06401 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
DRD2 P14416 5/20 0.36
ABCB1 P08183 3/20 0.35
PDE2A O00408 1/20 0.35
VNN1 O95497 1/20 0.35

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
SCHEMBL14161428 0.97 EGLN2 (0.38) AKT1AKT2EGLN2PGRGPR119
SCHEMBL9923372 0.95 AKT1 (0.41) AKT1EGLN2PGRGPR119DRD2
SCHEMBL1905128 0.87 AKT1 (0.40) AKT1AKT2DRD2PDE2A
SCHEMBL3052055 0.86 EGLN2 (0.38) EGLN2PGRGPR119DRD2ABCB1
SCHEMBL15255661 0.85 PGR (0.39) EGLN2PGRGPR119DRD2ABCB1
SCHEMBL538971 0.85 PGR (0.39) EGLN2PGRGPR119DRD2ABCB1
SCHEMBL13152804 0.85 PGR (0.39) EGLN2PGRGPR119DRD2ABCB1
SCHEMBL1534790 0.85 AKT1 (0.44) AKT1AKT2DRD2PDE2A
SCHEMBL14161397 0.83 AKT1 (0.42) AKT1AKT2DRD2PDE2A
SCHEMBL27979153 0.82 AKT1 (0.41) AKT1AKT2DRD2PDE2A

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
CN-103596957-B Imidazopyridazines as AKT kinase inhibitors 拜耳知识产权有限责任公司 2016-12-07 CN disclosed
CN-104066735-B Substituted imidazopyrazines as AKT kinase inhibitors 拜耳知识产权有限责任公司 2016-08-31 CN disclosed
EP-2593451-B1 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-8975265-B2 Substituted imidazo[1,2-a]pyrimidines and —pyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-10 US disclosed
CN-104066735-A Substituted imidazopyrazines as AKT kinase inhibitors BAYER IP GMBH 2014-09-24 CN disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
CN-103596957-A Imidazopyridazines as AKT kinase inhibitors BAYER IP GMBH 2014-02-19 CN disclosed
US-20130287763-A1 COMBINATION THERAPY FOR TREATING CANCER COMPRISING AN IGF-1R INHIBITOR AND AN AKT INHIBITOR MERCK SHARP & DOHME CORP. (US) 2013-10-31 US disclosed
CN-101600706-B Inhibitors of akt activity MERCK SHARP & DOHME 2013-10-16 CN disclosed
US-8536193-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2013-09-17 US disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
WO-2012015741-A2 COMBINATION THERAPY FOR TREATING CANCER COMPRISING AN IGF-1R INHIBITOR AND AN AKT INHIBITOR MERCK SHARP & DOHME CORP. (US) 2012-02-02 WO disclosed
WO-2012007345-A2 SUBSTITUTED IMIDAZO[1,2-A]PYRIMIDINES AND -PYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
US-20110160183-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2011-06-30 US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed
CN-101600706-A Inhibitors of AKT activity MERCK & CO INC (US) 2009-12-09 CN disclosed
WO-2008070041-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 WO disclosed
WO-2008070016-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 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 (4 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-20110160183-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885EGLN2 3408/4885
US-20130287763-A1 COMBINATION THERAPY FOR TREATING CANCER COMPRISING AN IGF-1R INHIBITOR AND AN AKT INHIBITOR IGF1R, IGFBP1, IGFBP2 AKT1 65/4885AKT2 28/4885EGLN2 1562/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885EGLN2 3016/4885
US-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG AKT1 9/4885AKT2 5/4885EGLN2 2997/4885

“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.