SCHEMBL1441997

SCHEMBL1441997

Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.51
MTOR P42345 3/20 0.51
PIK3R1 P27986 1/20 0.51
PIK3CD O00329 3/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
PRKDC P78527 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
PIM1 P11309 1/20 0.46
CDK6 Q00534 1/20 0.46
HPGD P15428 2/20 0.44
ALOX5AP P20292 1/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CNR2 P34972 2/20 0.44
MAPK10 P53779 1/20 0.43
HTT P42858 2/20 0.43

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) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL12812428 0.89 CDK6 (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442034 0.88 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1443423 0.88 HTT (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442062 0.88 HTT (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442616 0.87 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL3088623 0.87 MAPK10 (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442615 0.87 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1441788 0.87 PIK3CA (0.63) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1442272 0.87 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 EP disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 WO 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 181/4885MTOR 86/4885PIK3R1 530/4885

“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.