SCHEMBL1442586

SCHEMBL1442586

CC(C)NC(=O)c1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 3/20 0.52
▸ PIK3CB P42338 9/20 0.48
▸ PIK3CG P48736 9/20 0.48
▸ PIK3CD O00329 8/20 0.48
▸ PIK3CA P42336 8/20 0.48
▸ MTOR P42345 7/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ PIK3C3 Q8NEB9 1/20 0.48
▸ MET P08581 1/20 0.47
▸ PIM1 P11309 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HPGD P15428 1/20 0.43
▸ MYLK4 Q86YV6 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41

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
SCHEMBL1442463 0.93 CDK6 (0.50) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL1442107 0.91 PIK3CA (0.47) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL1443346 0.86 MYLK4 (0.52) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL1443793 0.84 STK17A (0.48) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL1442437 0.83 PIK3CA (0.47) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL12811942 0.79 PIK3CA (0.54) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL1441659 0.78 PIK3CA (0.52) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL12811782 0.78 CDK6 (0.48) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL27865681 0.78 MTOR (0.49) CDK6PIK3CBPIK3CGPIK3CDPIK3CA
SCHEMBL3091537 0.78 PIK3CA (0.55) CDK6PIK3CBPIK3CGPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US claimed
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — 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 (1 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 CDK6 136/4885PIK3CB 404/4885PIK3CG 412/4885

“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.

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