SCHEMBL13435325

SCHEMBL13435325

NCc1cccc(-c2cccc(Cc3ccnc4c3c(O)cc(=O)n4O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.39
CFD P00746 7/20 0.36
F11 P03951 2/20 0.35
TPSB2 P20231 2/20 0.35
KLKB1 P03952 2/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
F7 P08709 1/20 0.35
VHL P40337 1/20 0.34
KARS1 Q15046 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
SYK P43405 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL3516024 0.86 CDK8 (0.36) IDH1CFDF11TPSB2KLKB1
SCHEMBL3519281 0.80 IDH1 (0.40) IDH1CFDF11TPSB2KLKB1
SCHEMBL3514515 0.79 IDH1 (0.38) IDH1VHLSYK
SCHEMBL3515909 0.78 MAPT (0.38) CFDF11TPSB2KLKB1PLG
SCHEMBL3515013 0.76 IDH1 (0.41) IDH1CFDKLKB1FGFR1FGFR2
SCHEMBL18314572 0.75 IDH1 (0.39) IDH1CFDF11TPSB2KLKB1
SCHEMBL3514716 0.72 PRMT5 (0.39) IDH1CFDF11TPSB2KLKB1
SCHEMBL3519733 0.71 PRMT5 (0.40) IDH1CFDVHLLOXL2
SCHEMBL3519485 0.70 IDH1 (0.40) IDH1
SCHEMBL3514825 0.70 IDH1 (0.41) IDH1

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 3 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
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 IDH1 963/4885CFD 3645/4885F11 1837/4885

“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.