SCHEMBL2242312

SCHEMBL2242312

COCCOc1cccc2nc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 20/20 0.56
CYBB P04839 8/20 0.56
NOX5 Q96PH1 1/20 0.56

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
SCHEMBL13040594 0.83 NCF1 (0.50) NCF1CYBBNOX5
SCHEMBL23452996 0.81 NCF1 (0.86) NCF1CYBBNOX5
SCHEMBL2242668 0.80 GRM5 (0.54) NCF1CYBBNOX5
SCHEMBL9189479 0.79 NCF1 (0.62) NCF1CYBBNOX5
SCHEMBL9190502 0.79 NCF1 (0.62) NCF1CYBBNOX5
SCHEMBL17433791 0.78 PDE10A (0.42) NCF1CYBBNOX5
SCHEMBL18024109 0.77 NCF1 (0.55) NCF1
SCHEMBL2905129 0.77 DCPS (0.50) NCF1CYBBNOX5
SCHEMBL19690971 0.76 CYP3A4 (0.47) NCF1CYBBNOX5
SCHEMBL19690948 0.76 SETDB1 (0.60) NCF1CYBBNOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7994324-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2011-08-09 US disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2262773-A1 2-AMINOQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
EP-2262774-A2 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109493-A2 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
WO-2009109491-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US disclosed
US-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 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 (2 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-20090227584-A1 2-AMINOQUINOLINE DERIVATIVES HTR5A, HTR2C, HTR2B NCF1 3863/4885CYBB 3102/4885NOX5 761/4885
US-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E NCF1 2971/4885CYBB 3797/4885NOX5 1585/4885

“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.