SCHEMBL1442032

SCHEMBL1442032

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 4/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPK14 Q16539 3/20 0.44
▸ MAPK8 P45983 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ F10 P00742 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HCAR2 Q8TDS4 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
SCHEMBL1443453 0.94 GBA1 (0.46) GBA1GLAKDM4EALDH1A1MAPT
SCHEMBL1442707 0.93 GBA1 (0.47) GBA1GLAKDM4EALDH1A1MAPT
SCHEMBL10181264 0.93 GBA1 (0.47) GBA1GLAKDM4EALDH1A1MAPT
SCHEMBL1442445 0.92 GBA1 (0.49) GBA1GLAKDM4EALDH1A1MAPT
SCHEMBL10180439 0.88 HPGD (0.47) GLAKDM4EALDH1A1MAPTHPGD
SCHEMBL1442429 0.88 GBA1 (0.61) GBA1GLAKDM4EALDH1A1MAPT
SCHEMBL1442827 0.86 GBA1 (0.61) GBA1GLAKDM4EALDH1A1MAPT
SCHEMBL1442936 0.85 GBA1 (0.63) GBA1GLAKDM4EALDH1A1MAPT
SCHEMBL10178945 0.84 KDR (0.43) KDM4EALDH1A1MAPTHPGDJAK3
SCHEMBL1442906 0.84 PIK3CA (0.47) MAPT

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 3515/4885HDAC3 4364/4885HDAC1 4178/4885

“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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