SCHEMBL287710

SCHEMBL287710

Cc1onc(-c2ccc(F)cn2)c1COc1ccc(C(=O)NC2CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA5 P08648 3/20 0.58
GABRA5 P31644 13/20 0.58
GABRA1 P14867 5/20 0.53

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
SCHEMBL288194 0.86 GABRA5 (0.62) ITGA5GABRA5GABRA1
SCHEMBL287698 0.86 GABRA5 (0.69) ITGA5GABRA5GABRA1
SCHEMBL288193 0.86 GABRA5 (0.59) GABRA5GABRA1
SCHEMBL287790 0.85 GABRA5 (0.67) ITGA5GABRA5
SCHEMBL288233 0.85 GABRA5 (0.66) ITGA5GABRA5
SCHEMBL288145 0.84 GABRA5 (0.71) GABRA5GABRA1
SCHEMBL7859783 0.83 GABRA5 (0.53) GABRA5GABRA1
SCHEMBL288091 0.83 GABRA5 (0.58) ITGA5GABRA5GABRA1
SCHEMBL2929361 0.82 GABRA5 (0.81) ITGA5GABRA5GABRA1
SCHEMBL287604 0.82 ITGA5 (0.76) ITGA5GABRA5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP claimed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US claimed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US claimed
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
EP-2427456-B1 ISOXAZOLE-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-02-05 EP disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-8415379-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
EP-2427456-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100286132-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
WO-2010127976-A1 ISOXAZOLE-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO 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-20100286132-A1 PYRIDINES GABRA5, CHRNA5, GABRA1 ITGA5 244/4885GABRA5 1/4885GABRA1 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.