SCHEMBL3379034

SCHEMBL3379034

Cc1ccc2ccnc(Nc3csc(C)n3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
ASIC3 Q9UHC3 2/20 0.38
GRM5 P41594 10/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
METAP2 P50579 1/20 0.32
GCK P35557 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
NFKB1 P19838 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
SCHEMBL3377759 0.87 JAK2 (0.34) RAB9AASIC3GRM5PIK3C3MEN1
SCHEMBL3380648 0.78 GCK (0.49) RAB9ACCR1CCR5ALDH1A1MAPT
SCHEMBL3380853 0.75 GRM5 (0.32) RAB9AASIC3GRM5ALDH1A1MAPT
SCHEMBL3378611 0.73 MKNK1 (0.40) RAB9ACCR1CCR5ASIC3GRM5
SCHEMBL3379234 0.73 ADRA2A (0.39) RAB9ACCR1CCR5ASIC3GRM5
SCHEMBL3378359 0.72 GRM5 (0.34) GRM5MEN1KMT2A
SCHEMBL3379895 0.72 GRM5 (0.33) RAB9AASIC3GRM5PIK3C3NPC1
SCHEMBL3380960 0.72 GRM5 (0.31) GRM5
SCHEMBL3377500 0.71 GRM5 (0.41) RAB9AGRM5TDP1NPC1TP53
SCHEMBL3379873 0.71 GRM4 (0.45) RAB9ACCR1CCR5ASIC3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101277958-B Naphthyridin derivatives HOFFMANN LA ROCHE 2011-09-07 CN claimed
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
CN-101277958-A Naphthyridin derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN 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
CN-101277958-B Naphthyridin derivatives HOFFMANN LA ROCHE 2011-09-07 CN disclosed
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
CN-101277958-A Naphthyridin derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN 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 RAB9A 2594/4885CCR1 2620/4885CCR5 891/4885

“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.