SCHEMBL3383117

SCHEMBL3383117

Nc1ncc(-c2cncc(F)c2)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.40
MAP4K3 Q8IVH8 1/20 0.39
TGFBR1 P36897 1/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CYP17A1 P05093 2/20 0.36
TBK1 Q9UHD2 1/20 0.36
CYP3A4 P08684 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
MAP4K4 O95819 3/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NQO2 P16083 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
SCHEMBL3379642 0.81 CKS1B (0.49) CYP11B1CYP11B2TBK1CYP3A4DYRK1A
SCHEMBL3379162 0.75 GRM4 (0.41) GRM4CYP3A4CLK1DYRK1A
SCHEMBL3379635 0.73 GRM4 (0.39) GRM4CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL3380176 0.73 GRM4 (0.46) GRM4CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL31403817 0.72 LRRK2 (0.46) TGFBR1TBK1PIM1HSP90AA1HSP90AB1
SCHEMBL21754322 0.71 TLR7 (0.40) GRM4TGFBR1CYP3A4TLR7MAP4K4
SCHEMBL13370787 0.68 HSP90AA1 (0.53) TBK1CYP3A4CDC7CLK1HSP90AA1
SCHEMBL28138757 0.66 CYP11B1 (0.53) TGFBR1CYP11B1CYP11B2TBK1CYP3A4
SCHEMBL25261222 0.65 HSP90AA1 (0.53) TBK1CYP3A4CDC7CLK1HSP90AA1
SCHEMBL22281921 0.65 CCR1 (0.50) HSP90AA1HSP90AB1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 GRM4 9/4885MAP4K3 2173/4885TGFBR1 828/4885

“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.