SCHEMBL1442461

SCHEMBL1442461

CC#CC(=O)Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.46
▸ PIK3CD O00329 3/20 0.46
▸ MTOR P42345 7/20 0.45
▸ PIK3CG P48736 4/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PRKDC P78527 1/20 0.45
▸ PIK3C3 Q8NEB9 1/20 0.45
▸ GBA1 P04062 4/20 0.44
▸ WNT3A P56704 1/20 0.42
▸ CDK6 Q00534 2/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL1442442 0.87 MTOR (0.53) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL13276289 0.85 MTOR (0.60) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL1443457 0.85 SHMT2 (0.52) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL1444071 0.83 PIK3CA (0.67) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL1442429 0.83 GBA1 (0.61) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL1442884 0.81 KDM4E (0.53) PIK3CAMTORPIK3CGGBA1KDM4E
SCHEMBL1442827 0.81 GBA1 (0.61) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL1442411 0.80 GAA (0.52) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL1442936 0.80 GBA1 (0.63) PIK3CAGBA1HPGDGLAKDM4E
SCHEMBL12812463 0.80 HIF1A (0.44) PIK3CAPIK3CDMTORPIK3CBKDM4E

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
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US 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-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 181/4885PIK3CD 370/4885MTOR 86/4885

“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.

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