SCHEMBL3514716

SCHEMBL3514716

NCc1cccc(-c2cccc(-c3cc(=O)n(O)c4ncccc34)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CFD P00746 8/20 0.38
IDH1 O75874 1/20 0.36
VHL P40337 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
FEN1 P39748 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
CDK8 P49336 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
F7 P08709 1/20 0.34
TPSB2 P20231 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
SCHEMBL3519733 0.98 PRMT5 (0.40) PRMT5WDR77CFDIDH1VHL
SCHEMBL3515731 0.92 VHL (0.39) VHLLOXL2JAK2JAK1TYK2
SCHEMBL3515077 0.87 PRKCI (0.41) IDH1VHLFEN1CHEK1
SCHEMBL3519281 0.85 IDH1 (0.40) PRMT5WDR77CFDIDH1LOXL2
SCHEMBL13435309 0.84 CYP1A2 (0.41) IDH1FEN1
SCHEMBL18314572 0.82 IDH1 (0.39) PRMT5WDR77CFDIDH1FGFR1
SCHEMBL3516378 0.82 PLA2G10 (0.43) IDH1
SCHEMBL3516380 0.81 PTPN1 (0.39) CDK8
SCHEMBL3515013 0.81 IDH1 (0.41) PRMT5WDR77CFDIDH1FEN1
SCHEMBL3517754 0.80 PIK3CD (0.52) IDH1FEN1

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 PRMT5 2960/4885WDR77 1434/4885CFD 3645/4885

“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.