SCHEMBL1441974

SCHEMBL1441974

CNC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.53
▸ PIK3CA P42336 6/20 0.53
▸ PIK3CG P48736 3/20 0.53
▸ HPGD P15428 2/20 0.50
▸ CDK6 Q00534 3/20 0.49
▸ PIK3CD O00329 3/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ PIK3C3 Q8NEB9 1/20 0.49
▸ PIK3R1 P27986 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL1442553 0.91 ATR (0.50) MTORPIK3CAPIK3CGHPGDCDK6
SCHEMBL1442549 0.89 PIK3CA (0.47) MTORPIK3CAPIK3CGHPGDPIK3CD
SCHEMBL1443346 0.89 MYLK4 (0.52) MTORPIK3CAPIK3CGHPGDCDK6
SCHEMBL12812391 0.88 HPGD (0.53) MTORPIK3CAPIK3CGHPGDCDK6
SCHEMBL1443590 0.86 MAPK14 (0.50) MTORPIK3CAPIK3CGHPGDCDK6
SCHEMBL1442582 0.85 MTOR (0.50) MTORPIK3CAPIK3CGHPGDCDK6
SCHEMBL1443257 0.85 HIF1A (0.56) MTORPIK3CAPIK3CGCYP1A2MAPT
SCHEMBL1444098 0.85 HPGD (0.53) MTORPIK3CAPIK3CGHPGDCDK6
SCHEMBL13276289 0.85 MTOR (0.60) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL1442506 0.85 CLK4 (0.61) MTORPIK3CAPIK3CGHPGDCDK6

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 12 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
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-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 MTOR 86/4885PIK3CA 181/4885PIK3CG 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.

Send feedback