SCHEMBL3516376

SCHEMBL3516376

N#Cc1ccc2c(c1)CN(c1cc(=O)n(O)c3ncccc13)CC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 8/20 0.38
DRD3 P35462 8/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
AKR1C3 P42330 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NAMPT P43490 1/20 0.36
ELANE P08246 2/20 0.35
CXCR3 P49682 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35

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 0.85 GRIN2D (0.46) MAPTPRMT5
SCHEMBL3519168 0.82 GPR142 (0.39) MAPTPRMT5WDR77CYP11B1CYP11B2
SCHEMBL3514866 0.80 HDAC6 (0.45) MAPTPRMT5
SCHEMBL3517419 0.80 OPRM1 (0.42) PRMT5WDR77OPRM1
SCHEMBL3515997 0.80 GRIN2D (0.39) PRMT5WDR77CYP11B1CYP11B2
SCHEMBL3517530 0.76 HDAC6 (0.39) PRMT5WDR77OPRM1
SCHEMBL3514800 0.74 ROCK2 (0.42) MAPTMAPK1
SCHEMBL3514878 0.74 GLO1 (0.39)
SCHEMBL3514754 0.73 PIM1 (0.43)
SCHEMBL3516317 0.72 SMN1; SMN2 (0.41) MAPTMAPK1PRMT5WDR77NAMPT

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 MAPT 3237/4885MAPK1 1239/4885TDP1 103/4885

“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.