SCHEMBL1442429

SCHEMBL1442429

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ GLA P06280 1/20 0.56
▸ SHMT2 P34897 2/20 0.52
▸ JAK1 P23458 2/20 0.48
▸ AURKA O14965 1/20 0.48
▸ RIPK1 Q13546 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ PIK3CD O00329 2/20 0.47
▸ PIK3CA P42336 2/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47

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
SCHEMBL1442827 0.96 GBA1 (0.61) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1442936 0.95 GBA1 (0.63) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1442032 0.88 GBA1 (0.48) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1443457 0.88 SHMT2 (0.52) GBA1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1442442 0.87 MTOR (0.53) GBA1PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL1443453 0.87 GBA1 (0.46) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL1442411 0.87 GAA (0.52) GBA1GLAPIK3CDPIK3CAPIK3CB
SCHEMBL12812451 0.86 GBA1 (0.48) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL12812450 0.86 GBA1 (0.46) GBA1ALDH1A1HPGDKDM4EMAPT
SCHEMBL13276289 0.85 MTOR (0.60) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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
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-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 GBA1 3515/4885ALDH1A1 3857/4885HPGD 2446/4885

“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