SCHEMBL1442272

SCHEMBL1442272

Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
MTOR P42345 2/20 0.50
PIK3CG P48736 2/20 0.50
PRKDC P78527 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LRRK2 Q5S007 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AOC3 Q16853 1/20 0.46
PIM1 P11309 1/20 0.46
CDK6 Q00534 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL3091537 0.92 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1442913 0.91 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL12812428 0.89 CDK6 (0.54) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL19647636 0.89 ALDH1A1 (0.49) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1442043 0.89 CNR2 (0.48) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1442062 0.88 HTT (0.57) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1443423 0.88 HTT (0.57) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1441997 0.87 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL3088623 0.87 MAPK10 (0.51) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL1441788 0.87 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBMTORPIK3CG

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
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 PIK3CA 181/4885PIK3CD 370/4885PIK3CB 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.