SCHEMBL3517544

SCHEMBL3517544

O=c1cc(-c2ccncc2)c2cccnc2n1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.42
DAO P14920 1/20 0.39
GLO1 Q04760 1/20 0.37
ELANE P08246 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
GSK3B P49841 2/20 0.35
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE3B Q13370 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
SCHEMBL4460861 0.90 FEN1 (0.47) FEN1DAOGLO1HTTHSD17B10
SCHEMBL3519477 0.86 GLO1 (0.41) FEN1DAOGLO1ELANEKCNH2
SCHEMBL3517754 0.82 PIK3CD (0.52) FEN1DAOELANECDC7
SCHEMBL3515077 0.81 PRKCI (0.41) FEN1ELANECHEK1
SCHEMBL3517016 0.81 GSK3B (0.39) FEN1GSK3BHSD17B10KDM4EPRKCB
SCHEMBL3517459 0.81 GSTP1 (0.44) FEN1KDM4E
SCHEMBL3518501 0.80 NPC1 (0.39) FEN1DAONPC1RAB9A
SCHEMBL3518307 0.80 POLB (0.50) FEN1GSK3BNPC1RAB9A
SCHEMBL3514248 0.80 FEN1 (0.38) FEN1DAOROCK2PIM1CHEK1
SCHEMBL3514404 0.79 CYP3A4 (0.38) FEN1DAOKDM4EL3MBTL1

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 FEN1 115/4885DAO 3247/4885GLO1 4387/4885

“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.