SCHEMBL1776089

SCHEMBL1776089

Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)NCC2CC2)nn1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.77
GABRA5 P31644 6/20 0.74
ITGA5 P08648 1/20 0.60

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
SCHEMBL1776504 0.90 GABRA1 (0.79) GABRA1GABRA5
SCHEMBL1776210 0.89 GABRA1 (0.76) GABRA1GABRA5ITGA5
SCHEMBL1778019 0.88 GABRA1 (0.77) GABRA1GABRA5ITGA5
SCHEMBL1776361 0.88 GABRA1 (0.76) GABRA1GABRA5ITGA5
SCHEMBL30592768 0.87 GABRA1 (1.00) GABRA1
SCHEMBL20241114 0.87 GABRA1 (1.00) GABRA1
SCHEMBL1776576 0.87 GABRA1 (0.67) GABRA1GABRA5ITGA5
SCHEMBL1776807 0.86 GABRA5 (0.75) GABRA1GABRA5ITGA5
SCHEMBL1775935 0.86 GABRA1 (0.75) GABRA1GABRA5ITGA5
SCHEMBL1778088 0.85 GABRA1 (0.77) GABRA1GABRA5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231651-B1 ISOXAZOLO-PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
US-7943619-B2 Isoxazolo-pyridazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-17 US disclosed
EP-2231651-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2009071477-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 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-20090143385-A1 ISOXAZOLO-PYRIDAZINE DERIVATIVES GABRA5, CHRNA5, GABRA1 GABRA1 3/4885GABRA5 1/4885ITGA5 229/4885

“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.