SCHEMBL1443346

SCHEMBL1443346

CC(C)NC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYLK4 Q86YV6 2/20 0.52
▸ STK17A Q9UEE5 2/20 0.52
▸ CDK6 Q00534 2/20 0.51
▸ HPGD P15428 2/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ PIK3CD O00329 2/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ P2RY12 Q9H244 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NEK3 P51956 1/20 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
SCHEMBL1443793 0.91 STK17A (0.48) MYLK4STK17ACDK6HPGDATM
SCHEMBL12811789 0.91 STK17A (0.49) MYLK4STK17AHPGDHRH3ATM
SCHEMBL1441974 0.89 MTOR (0.53) CDK6HPGDPIK3CDPIK3CAPIK3CB
SCHEMBL1442463 0.86 CDK6 (0.50) MYLK4STK17ACDK6HPGDATM
SCHEMBL1442586 0.86 CDK6 (0.52) MYLK4STK17ACDK6HPGDATM
SCHEMBL12812391 0.85 HPGD (0.53) CDK6HPGDATMPIK3CDPIK3CA
SCHEMBL1443590 0.84 MAPK14 (0.50) CDK6HPGDPIK3CDPIK3CAPIK3CB
SCHEMBL1443006 0.84 CKS1B (0.45) MYLK4STK17AATMPIK3CAPRKDC
SCHEMBL1443257 0.83 HIF1A (0.56) ATMPIK3CAMTORPIK3CGCYP1A2
SCHEMBL1444098 0.83 HPGD (0.53) CDK6HPGDPIK3CDPIK3CAPIK3CB

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 11 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
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 MYLK4 551/4885STK17A 70/4885CDK6 136/4885

“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