SCHEMBL3515077

SCHEMBL3515077

O=c1cc(-c2cccc(CO)c2)c2cccnc2n1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
MTOR P42345 4/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
FYN P06241 1/20 0.39
PRKDC P78527 1/20 0.39
PI4K2A Q9BTU6 1/20 0.38
FEN1 P39748 2/20 0.38
TGFBR1 P36897 1/20 0.38
IDH1 O75874 1/20 0.37
ELANE P08246 2/20 0.37
CHEK1 O14757 1/20 0.37
PARP1 P09874 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
VHL P40337 1/20 0.36
NTRK1 P04629 1/20 0.36
PIK3CG P48736 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
SCHEMBL3519733 0.89 PRMT5 (0.40) PIK3CDFEN1IDH1ELANECHEK1
SCHEMBL3514716 0.87 PRMT5 (0.39) FEN1IDH1CHEK1VHL
SCHEMBL4460861 0.85 FEN1 (0.47) FEN1
SCHEMBL3517754 0.83 PIK3CD (0.52) MTORPIK3CDPIK3CAFYNFEN1
SCHEMBL3515937 0.83 DRD2 (0.47)
SCHEMBL13435309 0.83 CYP1A2 (0.41) FEN1IDH1
SCHEMBL3517544 0.81 FEN1 (0.42) FEN1ELANECHEK1
SCHEMBL3516378 0.81 PLA2G10 (0.43) IDH1ELANE
SCHEMBL3514797 0.80 AXL (0.39) PIK3CDFEN1ELANE
SCHEMBL3515731 0.80 VHL (0.39) ELANEVHL

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 PRKCI 4380/4885MTOR 3222/4885PIK3CD 2576/4885

“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.