SCHEMBL12812436

SCHEMBL12812436

CN(C)CCNC(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.56
▸ PIK3CG P48736 7/20 0.56
▸ PIK3CB P42338 7/20 0.56
▸ MTOR P42345 6/20 0.56
▸ PIK3CD O00329 5/20 0.56
▸ RAD52 P43351 1/20 0.49
▸ PRKD1 Q15139 2/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ PRKD3 O94806 1/20 0.48
▸ PRKD2 Q9BZL6 1/20 0.48
▸ CAMK2D Q13557 2/20 0.47
▸ FYN P06241 2/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL1443297 0.97 PIK3CA (0.53) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12812432 0.91 MAP4K4 (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442919 0.90 PIK3CA (0.48) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442553 0.85 ATR (0.50) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL10180104 0.84 HDAC1 (0.51) MAP4K4
SCHEMBL13276742 0.83 HSD17B10 (0.51) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1443793 0.83 STK17A (0.48) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12812018 0.83 MAPK14 (0.61) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL12811768 0.82 PRKDC (0.49) PIK3CAPIK3CGPIK3CBMTORPIK3CD
SCHEMBL1442554 0.82 LRRK2 (0.47) PIK3CAPIK3CGPIK3CBMTORPIK3CD

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 8 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
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN 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-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 181/4885PIK3CG 412/4885PIK3CB 404/4885

“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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