SCHEMBL3380853

SCHEMBL3380853

Cc1ccc2c(-c3ncccn3)cnc(Nc3csc(C)n3)c2n1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
PPP1CA P62136 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ASIC3 Q9UHC3 1/20 0.31

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
SCHEMBL3379895 0.88 GRM5 (0.33) GRM5NPC1POLBRAB9APIK3C3
SCHEMBL3378808 0.85 GRM5 (0.35) GRM5MEN1NPC1ALDH1A1TP53
SCHEMBL3377500 0.84 GRM5 (0.41) GRM5NPC1TP53POLBRAB9A
SCHEMBL3380960 0.84 GRM5 (0.31) GRM5
SCHEMBL3378359 0.83 GRM5 (0.34) GRM5MEN1KMT2A
SCHEMBL3379007 0.83 GRM5 (0.38) GRM5
SCHEMBL3379911 0.81
SCHEMBL3379238 0.81 NPC1 (0.34) GRM5NPC1MAPTRAB9AKMT2A
SCHEMBL3380821 0.79 RIPK1 (0.34)
SCHEMBL3380602 0.79 BDKRB2 (0.38)

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 16 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
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP claimed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO 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
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 GRM5 1/4885MEN1 2575/4885NPC1 705/4885

“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.