SCHEMBL3514866

SCHEMBL3514866

O=c1cc(N2CCc3ncccc3C2)c2cccnc2n1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
TIPARP Q7Z3E1 1/20 0.37
FEN1 P39748 2/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
ACVR1 Q04771 1/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PRMT5 O14744 1/20 0.33
NUDT1 P36639 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL3516245 0.89 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3519168 0.80 GPR142 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3516376 0.80 MAPT (0.42) MAPTPRMT5
SCHEMBL2026238 0.79 HDAC6 (0.47) HDAC6TIPARPFEN1FGFR1FGFR2
SCHEMBL3514754 0.79 PIM1 (0.43) FEN1PDE10A
SCHEMBL3517419 0.78 OPRM1 (0.42) HDAC6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3515997 0.78 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3517530 0.78 HDAC6 (0.39) HDAC6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3518929 0.76 FEN1 (0.47) FEN1LMNAMAPT
SCHEMBL3514878 0.75 GLO1 (0.39) FEN1

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 HDAC6 2573/4885TIPARP 1116/4885FEN1 115/4885

“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.