SCHEMBL3514878

SCHEMBL3514878

O=c1cc(N2Cc3ccc(-c4ccccc4)cc3C2)c2cccnc2n1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.39
HSD17B3 P37058 2/20 0.37
FEN1 P39748 3/20 0.37
ABHD6 Q9BV23 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
IP6K1 Q92551 1/20 0.33
FAAH O00519 2/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
SLC11A2 P49281 1/20 0.33
DHODH Q02127 1/20 0.33
EGFR P00533 1/20 0.33
TYRO3 Q06418 1/20 0.33
NTRK2 Q16620 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 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
SCHEMBL3515811 0.89 TIPARP (0.36) HSD17B3FEN1IP6K1
SCHEMBL3519168 0.84 GPR142 (0.39)
SCHEMBL3515997 0.82 GRIN2D (0.39) EGFR
SCHEMBL3516245 0.81 GRIN2D (0.46) IP6K1
SCHEMBL3518929 0.76 FEN1 (0.47) FEN1ALDH1A1CYP2C19FAAH
SCHEMBL3514866 0.75 HDAC6 (0.45) FEN1
SCHEMBL3516376 0.74 MAPT (0.42)
SCHEMBL4460861 0.73 FEN1 (0.47) GLO1FEN1ALDH1A1TSHRCYP2C19
SCHEMBL3516317 0.72 SMN1; SMN2 (0.41) ALDH1A1USP30
SCHEMBL3514754 0.72 PIM1 (0.43) 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 GLO1 4387/4885HSD17B3 1056/4885FEN1 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.