SCHEMBL1442445

SCHEMBL1442445

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 4/20 0.49
▸ GLA P06280 1/20 0.49
▸ PTPN1 P18031 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PTPN2 P17706 1/20 0.46
▸ TP53BP1 Q12888 1/20 0.44
▸ F10 P00742 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NAMPT P43490 1/20 0.42

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
SCHEMBL1442707 0.99 GBA1 (0.47) GBA1GLAPTPN1ALDH1A1PTPN2
SCHEMBL10181264 0.97 GBA1 (0.47) GBA1GLAPTPN1ALDH1A1TP53BP1
SCHEMBL1443453 0.95 GBA1 (0.46) GBA1GLAALDH1A1F10RXFP1
SCHEMBL1442032 0.92 GBA1 (0.48) GBA1GLAALDH1A1F10RXFP1
SCHEMBL1443667 0.88 RXFP1 (0.59) RXFP1MAPTKDM4ETP53LMNA
SCHEMBL1442936 0.88 GBA1 (0.63) GBA1GLAPTPN1ALDH1A1PTPN2
SCHEMBL1442333 0.88 NAMPT (0.51) GBA1ALDH1A1KDM4ENAMPT
SCHEMBL10180439 0.87 HPGD (0.47) GLAALDH1A1MAPTKDM4ETP53
SCHEMBL1442827 0.87 GBA1 (0.61) GBA1GLAPTPN1ALDH1A1PTPN2
SCHEMBL10179298 0.86 ALDH1A1 (0.50) GBA1ALDH1A1MAPTTP53NAMPT

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 9 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-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

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 3772/4885PTPN1 96/4885

“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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