SCHEMBL3514352

SCHEMBL3514352

CNC(=O)c1ccc2c(=O)n(O)c3ncccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
FEN1 P39748 3/20 0.48
DPP4 P27487 2/20 0.45
RIPK1 Q13546 1/20 0.41
KAT2B Q92831 1/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
MAPK14 Q16539 1/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
BRD4 O60885 1/20 0.39
HDAC2 Q92769 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL3514691 0.78 FEN1 (0.58) FEN1KAT2BBRD4
SCHEMBL3517675 0.77 CNR2 (0.47) FEN1
SCHEMBL3516697 0.76 FEN1 (0.45) PLK1FEN1BRD4
SCHEMBL3515874 0.76 TAF1 (0.47) PLK1HDAC8HDAC6BRD4
SCHEMBL3516280 0.76 FEN1 (0.50) FEN1BRD4
SCHEMBL4488740 0.73 AHR (0.52) PLK1
SCHEMBL2020576 0.71 MEN1 (0.51) PLK1RIPK1HDAC6MKNK1MKNK2
SCHEMBL3518495 0.70 FEN1 (0.50) FEN1BRD4
SCHEMBL18136095 0.68 FEN1 (0.47) FEN1BRD4
SCHEMBL13435219 0.68 FEN1 (0.47) FEN1KAT2BHDAC8HDAC6HDAC2

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 6 patents. 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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 PLK1 1762/4885FEN1 115/4885DPP4 1558/4885

“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.