SCHEMBL3519334

SCHEMBL3519334

N#Cc1ccc(-c2c(O)c3cccnc3n(O)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
SLC11A2 P49281 1/20 0.46
ELANE P08246 4/20 0.44
PDE4A P27815 2/20 0.40
FEN1 P39748 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FASN P49327 1/20 0.38
KDM4E B2RXH2 1/20 0.36
RCE1 Q9Y256 1/20 0.36
SLC6A7 Q99884 1/20 0.36
USP14 P54578 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP11B2 P19099 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
SCHEMBL13435249 0.76 FEN1 (0.46) FEN1KDM4E
SCHEMBL3516363 0.72 SLC11A2 (0.47) KMT2AMEN1SLC11A2ELANEKDM4E
SCHEMBL13435251 0.71 FEN1 (0.53) FEN1KDM4E
SCHEMBL13461600 0.69 FEN1 (0.47) KMT2AMEN1FEN1KDM4E
SCHEMBL2022418 0.68 ABCG2 (0.51) KMT2AMEN1ATMELANEPTGDR2
SCHEMBL16250051 0.68 FEN1 (0.49) FEN1KDM4E
SCHEMBL3518030 0.68 FEN1 (0.49) KMT2AMEN1FEN1KDM4E
SCHEMBL19435524 0.68 IL1B (0.45) KMT2AMEN1ATMELANEKDM4E
SCHEMBL8801781 0.68 KMT2A (0.54) KMT2AMEN1PDE4AFEN1KDM4E
SCHEMBL3514691 0.67 FEN1 (0.58) PDE4AFEN1KDM4E

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 KMT2A 2764/4885MEN1 3126/4885ATM 3402/4885

“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.