SCHEMBL3519477

SCHEMBL3519477

O=c1cc(-c2cncnc2)c2cccnc2n1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.41
FEN1 P39748 3/20 0.40
ELANE P08246 1/20 0.40
CYP11B1 P15538 1/20 0.37
DAO P14920 1/20 0.37
PDE10A Q9Y233 4/20 0.36
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 2/20 0.33
VHL P40337 1/20 0.33
KCNH2 Q12809 1/20 0.32
GSK3B P49841 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL3517544 0.86 FEN1 (0.42) GLO1FEN1ELANEDAOPDE10A
SCHEMBL4460861 0.84 FEN1 (0.47) GLO1FEN1DAOADORA2AADORA1
SCHEMBL3514248 0.80 FEN1 (0.38) FEN1DAO
SCHEMBL3517754 0.80 PIK3CD (0.52) FEN1ELANEDAO
Bromide SCHEMBL3517803 0.79 FEN1 (0.37) FEN1DAO
SCHEMBL3517459 0.78 GSTP1 (0.44) FEN1CYP11B1KDM4E
SCHEMBL3518307 0.77 POLB (0.50) FEN1ADORA1GSK3B
SCHEMBL3515731 0.77 VHL (0.39) GLO1ELANECYP2A6VHL
SCHEMBL3514797 0.76 AXL (0.39) FEN1ELANEDAOKDM4EGSK3B
SCHEMBL3515077 0.76 PRKCI (0.41) FEN1ELANEVHLKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL GLO1 4387/4885FEN1 115/4885ELANE 1450/4885

“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.