SCHEMBL10187736

SCHEMBL10187736

CC(=O)N1CCN(c2cnc3ccc(-c4ccc(O)cc4)cc3n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.55
MTOR P42345 1/20 0.55
PIK3CG P48736 1/20 0.55
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
HCAR2 Q8TDS4 6/20 0.52
MET P08581 2/20 0.48
MAP4K4 O95819 1/20 0.45
HRH4 Q9H3N8 2/20 0.42
HTR3A P46098 1/20 0.42
GAK O14976 1/20 0.41
MGLL Q99685 1/20 0.41
GRIA1 P42261 2/20 0.41
PIK3CA P42336 1/20 0.41
GBA1 P04062 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
SCHEMBL1444109 0.87 HCAR2 (0.54) PIK3CBMTORPIK3CGCKS1BSKP1
SCHEMBL10187789 0.87 PIK3CB (0.53) PIK3CBMTORPIK3CGCKS1BSKP1
SCHEMBL1442419 0.87 HCAR2 (0.51) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL1442666 0.85 HRH4 (0.59) HCAR2METHRH4HTR3A
SCHEMBL1443390 0.83 PIK3CA (0.47) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL27882010 0.83 PIK3CB (0.45) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL10179811 0.82 PIK3CB (0.44) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL1444121 0.82 PIK3CA (0.48) PIK3CBMTORPIK3CGHCAR2MET
SCHEMBL12928509 0.82 PIK3CA (0.61) PIK3CBMTORPIK3CGCKS1BSKP1
SCHEMBL13276461 0.81 HCAR2 (0.43) PIK3CBMTORPIK3CGHCAR2MET

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 10 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
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 PIK3CB 404/4885MTOR 86/4885PIK3CG 412/4885

“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.