SCHEMBL3379534

SCHEMBL3379534

Cc1ccc2ccnc(Nc3ccn(C)n3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.39
RAB9A P51151 2/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GCK P35557 6/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NPC1 O15118 1/20 0.34
SYK P43405 2/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34

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
SCHEMBL3379034 0.73 RAB9A (0.39) RAB9ACCR1CCR5ASIC3MEN1
SCHEMBL3378611 0.72 MKNK1 (0.40) RAB9ACCR1CCR5ASIC3MEN1
SCHEMBL3379234 0.72 ADRA2A (0.39) RAB9ACCR1CCR5ASIC3MEN1
SCHEMBL3377469 0.72 PIK3CA (0.41) LRRK2GCKPIK3CAMTOR
SCHEMBL3379873 0.70 GRM4 (0.45) RAB9ACCR1CCR5ASIC3PIK3CA
SCHEMBL3380648 0.69 GCK (0.49) RAB9ACCR1CCR5MEN1KMT2A
SCHEMBL3380034 0.68 GRM5 (0.42) LRRK2GCK
SCHEMBL3380669 0.68 LRRK2 (0.38) LRRK2GCKPIK3CAMTOR
SCHEMBL21961014 0.68 LRRK2 (0.50) LRRK2GCKNPC1
SCHEMBL3777103 0.68 LRRK2 (0.38) LRRK2GCKSYKPRKD1PRKD2

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 LRRK2 1091/4885RAB9A 2594/4885CCR1 2620/4885

“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.