SCHEMBL1442345

SCHEMBL1442345

NC(=O)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.51
▸ STK4 Q13043 1/20 0.51
▸ STK3 Q13188 1/20 0.51
▸ ATR Q13535 2/20 0.51
▸ MET P08581 1/20 0.48
▸ ATRIP Q8WXE1 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PIK3CA P42336 4/20 0.47
▸ MTOR P42345 3/20 0.47
▸ PIK3CG P48736 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ CDK6 Q00534 2/20 0.45
▸ SSTR2 P30874 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 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
SCHEMBL1442462 0.90 PIK3CA (0.51) HPGDPIK3CAMTORPIK3CGPIK3CD
SCHEMBL1444098 0.90 HPGD (0.53) LRRK2ATRATRIPHCAR2HPGD
SCHEMBL12811768 0.89 PRKDC (0.49) ATRHPGDPIK3CAMTORPIK3CG
SCHEMBL1443528 0.89 HPGD (0.50) METHCAR2HPGDPIK3CACDK6
SCHEMBL13276742 0.86 HSD17B10 (0.51) ATRATRIPHPGDPIK3CAMTOR
SCHEMBL10179246 0.86 HPGD (0.65) ATRATRIPHPGDCDK6HTT
SCHEMBL12812420 0.86 PRKDC (0.52) HPGDPIK3CAMTORPIK3CGPIK3CD
SCHEMBL1442553 0.86 ATR (0.50) ATRATRIPHPGDPIK3CAMTOR
SCHEMBL1443923 0.85 HPGD (0.67) ATRATRIPHPGDCDK6KDM4E
SCHEMBL1442554 0.85 LRRK2 (0.47) LRRK2ATRATRIPHPGDPIK3CA

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 LRRK2 32/4885STK4 40/4885STK3 20/4885

“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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