SCHEMBL1442553

SCHEMBL1442553

CNC(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.50
▸ ATRIP Q8WXE1 1/20 0.50
▸ PIK3CA P42336 4/20 0.47
▸ MTOR P42345 4/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ MAPK14 Q16539 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SCN9A Q15858 2/20 0.45
▸ CDK6 Q00534 2/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ PIP5K1C O60331 1/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ UTS2R Q9UKP6 2/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL1441974 0.91 MTOR (0.53) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL1442119 0.90 CDK8 (0.47) PIK3CAPIK3CGHPGDCDK8TP53
SCHEMBL1443793 0.89 STK17A (0.48) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL12811768 0.89 PRKDC (0.49) ATRPIK3CAMTORPIK3CGPIK3CD
SCHEMBL12812420 0.88 PRKDC (0.52) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL1442462 0.87 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL12812018 0.87 MAPK14 (0.61) ATRATRIPPIK3CAMTORPIK3CG
SCHEMBL12812024 0.87 NPC1 (0.57) ATRPIK3CAMTORPIK3CGSCN9A
SCHEMBL1442345 0.86 LRRK2 (0.51) ATRATRIPPIK3CAMTORPIK3CG
SCHEMBL13276742 0.86 HSD17B10 (0.51) ATRATRIPPIK3CAMTORPIK3CG

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 9 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-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

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 ATR 19/4885ATRIP 659/4885PIK3CA 181/4885

“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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