SCHEMBL1441977

SCHEMBL1441977

Cc1cc(-c2ccc3ncc(N4CCN(S(C)(=O)=O)CC4)nc3c2)cc(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.42
MTOR P42345 4/20 0.42
PIK3CG P48736 4/20 0.42
PIK3CA P42336 5/20 0.41
PIK3CD O00329 3/20 0.41
LRRK2 Q5S007 5/20 0.41
SMO Q99835 2/20 0.40
JAK1 P23458 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DPP4 P27487 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HTR3A P46098 1/20 0.39
PRKDC P78527 1/20 0.39
PIK3C3 Q8NEB9 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
SCHEMBL1442504 0.91 KDM4E (0.43) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL10179811 0.88 PIK3CB (0.44) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL1442650 0.85 HRH4 (0.56) JAK1NPC1RAB9AHRH4HTR3A
SCHEMBL13448779 0.85 DGAT1 (0.44) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL10178985 0.85 JAK1 (0.44) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL12812412 0.84 PIK3CA (0.46) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL10187789 0.83 PIK3CB (0.53) PIK3CBMTORPIK3CGSMOJAK1
SCHEMBL27882021 0.83 HCAR2 (0.47) PIK3CBMTORPIK3CGPIK3CAPIK3CD
SCHEMBL1442658 0.83 MAPT (0.43) JAK1NPC1RAB9AHRH4HTR3A
SCHEMBL13276836 0.83 JAK1 (0.43) PIK3CBMTORPIK3CGPIK3CAPIK3CD

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 6 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
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-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 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.