SCHEMBL3379900

SCHEMBL3379900

COc1ccc(-c2cnc(Nc3nc(C)cs3)c3nc(C)ccc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
GCK P35557 9/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 1/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
POLQ O75417 1/20 0.35
TDO2 P48775 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL3379232 0.89 GCK (0.40) GCKGAAALDH1A1MAPTMAPK1
SCHEMBL3378876 0.86 CYP3A4 (0.40) CYP2A6GCKGAAALDH1A1MAPT
SCHEMBL13070117 0.85 ADORA2A (0.40) GCKGAAALDH1A1MAPTMAPK1
SCHEMBL3379079 0.85 RAB9A (0.46) GCKGAAALDH1A1MAPTMAPK1
SCHEMBL3379067 0.82 GCK (0.40) GCKGAAALDH1A1MAPTMAPK1
SCHEMBL3382496 0.82 GCK (0.44) GCKGAAALDH1A1MAPTMAPK1
SCHEMBL3379066 0.82 GCK (0.48) GCKALDH1A1HPGDMAPK1NPC1
SCHEMBL3381349 0.82 GCK (0.41) GCKGAAALDH1A1MAPTHPGD
SCHEMBL3379209 0.81 GCK (0.39) GCKGAAALDH1A1MAPTMAPK1
SCHEMBL3378923 0.81 GCK (0.47) CYP2A6GCKGAAALDH1A1MAPT

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-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP claimed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US claimed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US claimed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 US disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 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-20070078155-A1 Naphthyridin derivatives GRM5, GRM3, GRM1 CYP2A6 1896/4885PIK3CA 3070/4885PIK3CD 3451/4885

“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.