SCHEMBL1442934

SCHEMBL1442934

CNC(=O)c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.49
▸ PDE2A O00408 2/20 0.45
▸ PDE10A Q9Y233 2/20 0.45
▸ PIK3CB P42338 4/20 0.43
▸ MTOR P42345 4/20 0.43
▸ PIK3CG P48736 4/20 0.43
▸ PDK2 Q15119 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ MET P08581 1/20 0.41
▸ HPGD P15428 4/20 0.40
▸ PIK3CD O00329 3/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL1442582 0.90 MTOR (0.50) PIK3CAPDE2APDE10APIK3CBMTOR
SCHEMBL12812416 0.87 PIK3CA (0.47) PIK3CAPIK3CBMTORPIK3CGHPGD
SCHEMBL1442549 0.85 PIK3CA (0.47) PIK3CAPIK3CBMTORPIK3CGHPGD
SCHEMBL12811798 0.83 ALOX5AP (0.46) PIK3CAHPGDPTPN11HCAR2
SCHEMBL1442119 0.82 CDK8 (0.47) PIK3CAPDE2APDE10APIK3CGPDK2
SCHEMBL1441754 0.81 PIK3CA (0.48) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL1442754 0.81 PIK3CA (0.51) PIK3CAPIK3CBMTORPIK3CGDYRK1A
SCHEMBL1441753 0.81 PIK3CA (0.53) PIK3CAPIK3CBMTORPIK3CGHPGD
SCHEMBL1442311 0.79 BMPR1B (0.47) PIK3CAPIK3CBMTORPIK3CGHPGD
SCHEMBL1442437 0.78 PIK3CA (0.47) PIK3CAPDE2APDE10APIK3CBMTOR

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
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

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 181/4885PDE2A 1053/4885PDE10A 1343/4885

“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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