SCHEMBL2926069

SCHEMBL2926069

Cc1onc(-c2ccccc2)c1CNc1cnc(C(=O)O)cn1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 13/20 0.66
ALDH1A1 P00352 3/20 0.57
ENPP2 Q13822 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
THRB P10828 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL2931496 0.90 GABRA5 (0.74) GABRA5ALDH1A1ENPP2NPSR1MAPT
SCHEMBL2928756 0.87 GABRA5 (0.75) GABRA5ALDH1A1ENPP2
SCHEMBL2935433 0.87 GABRA5 (0.67) GABRA5ALDH1A1ENPP2
SCHEMBL2930643 0.86 GABRA5 (0.76) GABRA5
SCHEMBL2933116 0.84 GABRA5 (0.82) GABRA5
SCHEMBL2919513 0.83 ENPP2 (0.69) GABRA5ALDH1A1ENPP2NPSR1MAPT
SCHEMBL2926167 0.79 GABRA5 (1.00) GABRA5
SCHEMBL2927559 0.78 GABRA5 (0.65) GABRA5
SCHEMBL2926616 0.77 GABRA5 (1.00) GABRA5ALDH1A1ENPP2NPSR1KDM4E
SCHEMBL2926591 0.77 GABRA5 (1.00) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229383-B1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-01-18 EP claimed
EP-2229383-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP claimed
US-7618973-B2 Isoxazolo-pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US claimed
WO-2009071464-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO claimed
US-20090143407-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US claimed
EP-2229383-B1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-01-18 EP disclosed
US-7902201-B2 Isoxazolo-pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
US-20100256154-A1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
EP-2229383-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
US-20100041886-A1 ISOXAZOLO-PYRAZINE DERIVATIVES BUETTELMANN BERND 2010-02-18 US disclosed
US-7618973-B2 Isoxazolo-pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-17 US disclosed
WO-2009071464-A1 ISOXAZOLO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143407-A1 ISOXAZOLO-PYRAZINE 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 (3 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-20090143407-A1 ISOXAZOLO-PYRAZINE DERIVATIVES GABRA5, CHRNA5, GABRA4 GABRA5 1/4885ALDH1A1 1772/4885ENPP2 1856/4885
US-20100256154-A1 ISOXAZOLO-PYRAZINE DERIVATIVES GABRA5, GRIK5, GABRA4 GABRA5 1/4885ALDH1A1 1795/4885ENPP2 2741/4885
US-20100041886-A1 ISOXAZOLO-PYRAZINE DERIVATIVES GABRA5, CHRNA5, GABRA4 GABRA5 1/4885ALDH1A1 1772/4885ENPP2 1856/4885

“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.