SCHEMBL1442437

SCHEMBL1442437

CC(C)NC(=O)c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.47
▸ ATM Q13315 7/20 0.45
▸ PDE2A O00408 4/20 0.44
▸ PDE10A Q9Y233 4/20 0.44
▸ PRKDC P78527 1/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ STK17A Q9UEE5 1/20 0.43
▸ PIK3CB P42338 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ CDK6 Q00534 1/20 0.41
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL1442107 0.92 PIK3CA (0.47) PIK3CAATMPRKDCSTK17APIK3CB
SCHEMBL1442463 0.91 CDK6 (0.50) PIK3CAATMPDE2APDE10APRKDC
SCHEMBL12811789 0.85 STK17A (0.49) PIK3CAATMPRKDCSTK17A
SCHEMBL1442586 0.83 CDK6 (0.52) PIK3CAATMPRKDCSTK17APIK3CB
SCHEMBL12812434 0.83 STK17A (0.51) PIK3CAATMPRKDCSTK17A
SCHEMBL12812038 0.80 PIK3CA (0.46) PIK3CAATMPRKDCPIK3CBMTOR
SCHEMBL1442748 0.79 PIK3CA (0.53) PIK3CAPRKDCPIK3CBMTORPIK3CG
SCHEMBL1443006 0.79 CKS1B (0.45) PIK3CAATMPRKDCSTK17A
SCHEMBL1442186 0.78 PIK3CA (0.50) PIK3CAPRKDCPIK3CBMTORPIK3CG
SCHEMBL1442090 0.78 PDGFRB (0.51) PIK3CAPDE2APDE10APIK3CBPIK3CG

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 PIK3CA 181/4885ATM 48/4885PDE2A 1053/4885

“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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