SCHEMBL3517016

SCHEMBL3517016

COc1ccc(-c2ccncc2)cc1-c1cc(=O)n(O)c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.39
PRKCB P05771 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KIT P10721 1/20 0.36
PIK3CA P42336 1/20 0.36
SLC2A1 P11166 1/20 0.36
FEN1 P39748 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDGFRB P09619 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL3517544 0.81 FEN1 (0.42) GSK3BPRKCBFEN1KDM4EHSD17B10
SCHEMBL4460861 0.72 FEN1 (0.47) FEN1ALDH1A1HPGDMAPK1CYP2C19
SCHEMBL3519477 0.71 GLO1 (0.41) GSK3BFEN1KDM4E
SCHEMBL3517459 0.69 GSTP1 (0.44) FEN1KDM4EALDH1A1CYP2C19
SCHEMBL3518307 0.69 POLB (0.50) GSK3BFEN1MEN1MAPTKMT2A
SCHEMBL3514248 0.69 FEN1 (0.38) FEN1MAPK1
SCHEMBL3517754 0.68 PIK3CD (0.52) PIK3CAFEN1MEN1KMT2A
Bromide SCHEMBL3517803 0.68 FEN1 (0.37) FEN1MAPK1
SCHEMBL3516974 0.68 PDE4A (0.47) GSK3BPDE4APDE4DFEN1ALDH1A1
SCHEMBL7549309 0.67 IKBKB (0.51) PIK3CASLC2A1TLR8TLR7

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 GSK3B 1940/4885PRKCB 4501/4885PDE4A 1784/4885

“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.