SCHEMBL1652606

SCHEMBL1652606

Nc1ncnc2cc(CN3CCN(Cc4ccc(-c5ccccc5)cc4)CC3=O)ccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.69
APP P05067 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SLC2A1 P11166 1/20 0.44
MAP4K4 O95819 1/20 0.42
NLRP3 Q96P20 1/20 0.40
FNTA P49354 1/20 0.40
PGGT1B P53609 1/20 0.40
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
LIMK1 P53667 1/20 0.39

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
SCHEMBL1652172 0.92 F10 (0.73) F10APPHRH3MCHR1LIMK1
SCHEMBL1651554 0.88 F10 (0.72) F10APPHRH3
SCHEMBL1651618 0.87 F10 (0.59) F10APPHRH3SLC2A1MAP4K4
SCHEMBL1654307 0.85 F10 (0.77) F10APPHRH3
SCHEMBL1387023 0.85 F10 (0.64) F10APPHRH3SLC2A1MAP4K4
SCHEMBL4391128 0.84 F10 (0.67) F10
SCHEMBL1654622 0.84 F10 (0.57) F10APPHRH3SLC2A1MAP4K4
SCHEMBL1386342 0.84 F10 (0.61) F10APPHRH3SLC2A1LIMK1
SCHEMBL1651906 0.83 F10 (0.67) F10APPHRH3
SCHEMBL1652131 0.83 F10 (0.68) F10APPHRH3ALDH1A1

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
JP-4676613-B2 2011-04-27 JP claimed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US claimed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP claimed
JP-2002501024-A 2002-01-15 JP claimed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP claimed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO claimed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 F10 12/4885APP 2765/4885HRH3 2679/4885

“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.