SCHEMBL3379642

SCHEMBL3379642

Nc1ncc(-c2cccnc2)c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 5/20 0.49
SKP2 Q13309 5/20 0.49
CYP2A6 P11509 3/20 0.46
CYP11B1 P15538 2/20 0.45
TDO2 P48775 1/20 0.45
MAP3K7 O43318 1/20 0.44
TAB1 Q15750 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHEK2 O96017 1/20 0.44
TBK1 Q9UHD2 1/20 0.43
NUDT1 P36639 1/20 0.42
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL28138757 0.85 CYP11B1 (0.53) CYP2A6CYP11B1TDO2MAP3K7TAB1
SCHEMBL3383117 0.81 GRM4 (0.40) CYP11B1NPC1L3MBTL1CYP3A4TBK1
SCHEMBL31403817 0.78 LRRK2 (0.46) TBK1HSP90AA1HSP90AB1
SCHEMBL3949315 0.75 MAP4K4 (0.59) CYP2A6TDO2KDM4EALDH1A1CYP1A2
SCHEMBL29576461 0.75 MAP4K4 (0.59) CYP2A6TDO2KDM4EALDH1A1CYP1A2
SCHEMBL15835308 0.75 CYP11B1 (0.68) CKS1BSKP2CYP2A6CYP11B1KDM4E
SCHEMBL12070657 0.73 TOP1 (0.42) CKS1BSKP2TDO2TBK1DYRK1B
SCHEMBL13370787 0.73 HSP90AA1 (0.53) KDM4ENPC1L3MBTL1ALDH1A1CYP3A4
SCHEMBL30639397 0.72 LIMK1 (0.49) CYP2A6CYP11B1TDO2ALDH1A1CYP1A2
SCHEMBL27953881 0.72 LIMK1 (0.49) CYP2A6CYP11B1TDO2ALDH1A1CYP1A2

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 CKS1B 2655/4885SKP2 2843/4885CYP2A6 1896/4885

“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.