SCHEMBL1442827

SCHEMBL1442827

O=C(Nc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 4/20 0.61
▸ GLA P06280 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TSHR P16473 1/20 0.52
▸ SHMT2 P34897 2/20 0.51
▸ PIK3CA P42336 2/20 0.49
▸ PTPN1 P18031 3/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PTPN2 P17706 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ PIK3CG P48736 1/20 0.46

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
SCHEMBL1442936 0.99 GBA1 (0.63) GBA1GLAALDH1A1HPGDKDM4E
SCHEMBL1442429 0.96 GBA1 (0.61) GBA1GLAALDH1A1HPGDKDM4E
SCHEMBL1442707 0.87 GBA1 (0.47) GBA1GLAALDH1A1KDM4EMAPT
SCHEMBL1442445 0.87 GBA1 (0.49) GBA1GLAALDH1A1KDM4EMAPT
SCHEMBL1442032 0.86 GBA1 (0.48) GBA1GLAALDH1A1HPGDKDM4E
SCHEMBL1442442 0.85 MTOR (0.53) GBA1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL1443667 0.85 RXFP1 (0.59) KDM4EMAPTNPC1TP53RAB9A
SCHEMBL10181264 0.85 GBA1 (0.47) GBA1GLAALDH1A1HPGDKDM4E
SCHEMBL1442411 0.85 GAA (0.52) GBA1GLAPIK3CAPIK3CDPIK3CB
SCHEMBL12812451 0.84 GBA1 (0.48) GBA1GLAALDH1A1HPGDKDM4E

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 8 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
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 GBA1 3515/4885GLA 3772/4885ALDH1A1 3857/4885

“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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