SCHEMBL1777682

SCHEMBL1777682

Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NC(C)C)nn1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 16/20 0.71
ENPP2 Q13822 1/20 0.68
GABRA1 P14867 1/20 0.53
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL1778130 0.90 GABRA5 (0.72) GABRA5ENPP2GABRA1
SCHEMBL2919513 0.87 ENPP2 (0.69) GABRA5ENPP2ALDH1A1NPSR1
SCHEMBL1776603 0.86 GABRA5 (0.69) GABRA5ENPP2ALDH1A1NPSR1
SCHEMBL2928756 0.85 GABRA5 (0.75) GABRA5ENPP2ALDH1A1
SCHEMBL1777684 0.85 ENPP2 (0.72) GABRA5ENPP2GABRA1ALDH1A1NPSR1
SCHEMBL1777170 0.84 GABRA5 (0.75) GABRA5ENPP2GABRA1
SCHEMBL1777038 0.83 ENPP2 (0.73) GABRA5ENPP2GABRA1ALDH1A1
SCHEMBL1778608 0.83 ENPP2 (0.70) GABRA5ENPP2GABRA1ALDH1A1NPSR1
SCHEMBL2926591 0.83 GABRA5 (1.00) GABRA5
SCHEMBL1776921 0.82 GABRA1 (0.77) GABRA5GABRA1

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 1/4885ENPP2 3128/4885GABRA1 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.