SCHEMBL2929378

SCHEMBL2929378

COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 20/20 1.00
GABRA1 P14867 1/20 0.67
GABRG2 P18507 1/20 0.67
GABRB3 P28472 1/20 0.67
GABRA3 P34903 1/20 0.67
GABRA2 P47869 1/20 0.67

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
SCHEMBL2924603 0.92 GABRA5 (0.84) GABRA5GABRA1
SCHEMBL2924213 0.90 GABRA5 (1.00) GABRA5
SCHEMBL109273 0.89 GABRA5 (1.00) GABRA5
SCHEMBL2922234 0.89 GABRA5 (1.00) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL2924240 0.89 GABRA5 (0.80) GABRA5GABRA1
SCHEMBL20241274 0.88 GABRA5 (0.79) GABRA5GABRA1
SCHEMBL28407452 0.88 GABRA5 (0.82) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL29421368 0.88 GABRA5 (0.79) GABRA5GABRA1
SCHEMBL30592886 0.88 GABRA5 (0.79) GABRA5GABRA1
SCHEMBL2922227 0.88 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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768821-B1 SOLID FORMS OF (1,1-DIOXO-4-THIOMORPHOLINYL)-[6-[[3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
EP-2767536-B1 Isoxazolo-pyridine derivatives HOFFMANN LA ROCHE (CH) 2015-09-02 EP disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
US-8975397-B2 Solid forms HOFFMANN-LA ROCHE INC. (US) 2015-03-10 US disclosed
EP-2227467-B1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-20140329806-A1 NOVEL SOLID FORMS HOFFMANN-LA ROCHE INC. (US) 2014-11-06 US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
EP-2792360-A1 (1aR,12bS)-8-cyclohexyl-11-fluoro-N-((1-methylcyclopropyl)sulfonyl)-1a-((3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl)carbonyl)-1,1a,2,2b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide for use in treating HCV IP Gesellschaft für Management mbH (DE) 2014-10-22 EP disclosed
US-8846719-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-09-30 US disclosed
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
US-20130172329-A1 NOVEL SOLID FORMS HOFFMANN-LA ROCHE INC. (US) 2013-07-04 US disclosed
WO-2013057124-A1 SOLID FORMS OF 1,L-DIOXO-4-THIOMORPHOLINYL)-[6-[[3(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]METHOXY]-3-PYRIDINYL]-METHANONE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-25 WO disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
EP-2227467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009071476-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-11 WO disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 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 (7 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885
US-20130172329-A1 NOVEL SOLID FORMS F12, SLC10A1, CYP2F1 GABRA5 3197/4885GABRA1 3294/4885GABRG2 3630/4885
US-20130274468-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885
US-20140329806-A1 NOVEL SOLID FORMS F12, SLC10A1, CYP2F1 GABRA5 3197/4885GABRA1 3294/4885GABRG2 3630/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 GABRA5 1/4885GABRA1 2/4885GABRG2 21/4885

“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.