SCHEMBL1442582

SCHEMBL1442582

CNC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.50
▸ PIK3CG P48736 3/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CD O00329 1/20 0.50
▸ PRKDC P78527 1/20 0.50
▸ PIK3C3 Q8NEB9 1/20 0.50
▸ CNR2 P34972 2/20 0.45
▸ PDE2A O00408 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ CDK6 Q00534 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ ULK1 O75385 1/20 0.43
▸ INSR P06213 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ PTK2 Q05397 1/20 0.42

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
SCHEMBL1442934 0.90 PIK3CA (0.49) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL1442924 0.87 PIK3CD (0.48) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL1441974 0.85 MTOR (0.53) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL12811951 0.84 HPGD (0.45) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL1442553 0.83 ATR (0.50) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL1443292 0.82 CNR2 (0.53) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL1442375 0.81 CNR2 (0.66) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL3091537 0.80 PIK3CA (0.55) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL1442877 0.80 PIK3CA (0.48) MTORPIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL13276289 0.80 MTOR (0.60) MTORPIK3CGPIK3CBPIK3CAPIK3CD

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 12 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
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 MTOR 86/4885PIK3CG 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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