SCHEMBL287604

SCHEMBL287604

Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NC2CCOCC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA5 P08648 6/20 0.76
GABRA5 P31644 12/20 0.71
GABRA1 P14867 5/20 0.58

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
SCHEMBL287698 0.95 GABRA5 (0.69) ITGA5GABRA5GABRA1
SCHEMBL1777497 0.86 ITGA5 (1.00) ITGA5GABRA5GABRA1
SCHEMBL300427 0.85 GABRA5 (0.57) ITGA5GABRA5GABRA1
SCHEMBL288655 0.85 GABRA5 (0.57) ITGA5GABRA5GABRA1
SCHEMBL289211 0.85 GABRA5 (0.57) ITGA5GABRA5GABRA1
SCHEMBL288229 0.84 GABRA5 (0.70) ITGA5GABRA5GABRA1
SCHEMBL287977 0.84 GABRA5 (0.55) ITGA5GABRA5GABRA1
SCHEMBL13067636 0.84 GABRA5 (0.72) ITGA5GABRA5GABRA1
SCHEMBL288205 0.84 GABRA5 (0.72) ITGA5GABRA5GABRA1
SCHEMBL296647 0.83 ITGA5 (0.71) ITGA5GABRA5GABRA1

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
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 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-20100286132-A1 PYRIDINES GABRA5, CHRNA5, GABRA1 ITGA5 244/4885GABRA5 1/4885GABRA1 3/4885

“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.