SCHEMBL1441751

SCHEMBL1441751

CS(=O)(=O)Nc1ccccc1-c1ccc2ncc(N3CCCCC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.51
▸ ALOX5AP P20292 6/20 0.47
▸ FEN1 P39748 6/20 0.47
▸ CDK1 P06493 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ MET P08581 1/20 0.44
▸ TRPV1 Q8NER1 3/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ PIK3CB P42338 4/20 0.42
▸ MTOR P42345 4/20 0.42
▸ PIK3CG P48736 4/20 0.42
▸ PIK3CD O00329 3/20 0.42
▸ METAP2 P50579 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41

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
SCHEMBL1442091 0.90 MTOR (0.52) PIK3CAALOX5APFEN1CDK1CDK2
SCHEMBL1441972 0.83 HRH3 (0.47) PIK3CACDK2TRPV1PIK3CBMTOR
SCHEMBL1443497 0.82 NPC1 (0.53) PIK3CAMET
SCHEMBL1442436 0.80 KDM4E (0.48) PIK3CAMETPTPN11
SCHEMBL1442603 0.79 ALOX5AP (0.47) PIK3CAALOX5APFEN1IRAK4PTPN11
SCHEMBL12812442 0.78 PTPN11 (0.45) PIK3CAALOX5APFEN1METPTPN11
SCHEMBL1442797 0.78 HPGD (0.50) PIK3CAPTPN11
SCHEMBL1442356 0.78 MAPT (0.52) PIK3CAALOX5APFEN1METPTPN11
SCHEMBL12812404 0.78 PTPN11 (0.54) PIK3CAPTPN11
SCHEMBL12812446 0.77 HPGD (0.49) PIK3CAALOX5APIRAK4

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
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 181/4885ALOX5AP 3864/4885FEN1 3646/4885

“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.

Send feedback