SCHEMBL1776352

SCHEMBL1776352

CCOC(=O)c1ccc(OCc2conc2-c2ccccn2)nn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.58
ITGA5 P08648 1/20 0.45
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL1778001 0.86 GABRA5 (0.57) GABRA5ITGA5LMNA
SCHEMBL1776175 0.84 GABRA5 (0.48) GABRA5
SCHEMBL1775856 0.83 GABRA5 (0.64) GABRA5ITGA5GABRA1
SCHEMBL1775850 0.83 GABRA5 (0.73) GABRA5ITGA5GABRA1
SCHEMBL1776329 0.82 ITGA5 (0.65) GABRA5ITGA5GABRA1
SCHEMBL1776867 0.81 GABRA5 (0.55) GABRA5
SCHEMBL1778296 0.80 GABRA5 (0.75) GABRA5ITGA5GABRA1
SCHEMBL1776801 0.80 GABRA5 (0.74) GABRA5ITGA5GABRA1
SCHEMBL1777322 0.79 GABRA5 (0.75) GABRA5ITGA5GABRA1
SCHEMBL2687254 0.78 ITGA5 (0.42) GABRA5ITGA5LMNAMAPTKDM4E

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 GABRA5 1/4885ITGA5 229/4885LMNA 2743/4885

“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.