SCHEMBL1775732

SCHEMBL1775732

Cc1onc(-c2ccc(Cl)cn2)c1CN

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.55
ITGA5 P08648 2/20 0.45
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL21590639 0.87 GABRA5 (0.56) GABRA5ITGA5POLBALDH1A1MAPT
SCHEMBL1776320 0.85 GABRA5 (0.58) GABRA5ITGA5POLBALDH1A1MAPT
SCHEMBL28788211 0.77 GABRA5 (0.53) GABRA5ITGA5
SCHEMBL1777400 0.76 GABRA5 (0.66) GABRA5ITGA5
SCHEMBL1777271 0.75 GABRA5 (0.47) GABRA5ITGA5POLBALDH1A1MAPT
SCHEMBL1776858 0.75 GABRA5 (0.48) GABRA5ITGA5MAPTTDP1
SCHEMBL1775733 0.75 GABRA5 (0.46) GABRA5ITGA5POLBALDH1A1MAPT
SCHEMBL21590748 0.74 GABRA5 (0.48) GABRA5ITGA5POLBALDH1A1MAPT
SCHEMBL1778740 0.73 GABRA5 (0.47) GABRA5ITGA5POLBALDH1A1MAPT
SCHEMBL16333224 0.72 GABRA5 (0.57) GABRA5POLBALDH1A1MAPTNPSR1

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 229/4885POLB 2720/4885

“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.