SCHEMBL1777684

SCHEMBL1777684

CCCNC(=O)c1ccc(NCc2c(-c3ccccc3)noc2C)nn1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.72
GABRA5 P31644 12/20 0.63
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
GABRA1 P14867 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL1778131 0.90 ENPP2 (0.67) ENPP2GABRA5GABRA1
SCHEMBL1777038 0.86 ENPP2 (0.73) ENPP2GABRA5ALDH1A1GABRA1MAPT
SCHEMBL1778608 0.86 ENPP2 (0.70) ENPP2GABRA5ALDH1A1GABRA1NPSR1
SCHEMBL2919513 0.86 ENPP2 (0.69) ENPP2GABRA5ALDH1A1KDM4ENPSR1
SCHEMBL2935433 0.85 GABRA5 (0.67) ENPP2GABRA5ALDH1A1GABRA1
SCHEMBL1777170 0.85 GABRA5 (0.75) ENPP2GABRA5GABRA1
SCHEMBL1777682 0.85 GABRA5 (0.71) ENPP2GABRA5ALDH1A1GABRA1NPSR1
SCHEMBL14894754 0.84 ENPP2 (1.00) ENPP2GABRA5ALDH1A1
SCHEMBL1776603 0.83 GABRA5 (0.69) ENPP2GABRA5ALDH1A1KDM4ENPSR1
SCHEMBL1778670 0.83 ENPP2 (0.68) ENPP2GABRA5GABRA1

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 ENPP2 3128/4885GABRA5 1/4885ALDH1A1 1301/4885

“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.