SCHEMBL10178956

SCHEMBL10178956

COc1ccccc1CC(=O)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 1/20 0.55
▸ F10 P00742 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MEN1 O00255 8/20 0.45
▸ KMT2A Q03164 8/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KLK7 P49862 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
SCHEMBL27882068 0.91 MAPT (0.55) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL1443193 0.90 MAPT (0.46) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL10179687 0.88 KDM4E (0.43) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL27865682 0.88 HTR1A (0.41) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL1442780 0.88 F2 (0.44) MAPTKDM4EALDH1A1HPGDF10
SCHEMBL13276526 0.86 MAPT (0.55) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL1442495 0.86 HTR1A (0.52) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10179432 0.86 HCRTR1 (0.41) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL1442816 0.85 MAPT (0.52) MAPTKDM4EALDH1A1HPGDF10
SCHEMBL1443398 0.85 HTR1A (0.54) MAPTKDM4EALDH1A1MEN1KMT2A

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
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
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 MAPT 1296/4885KDM4E 932/4885ALDH1A1 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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