SCHEMBL3514751

SCHEMBL3514751

O=c1cc(Nc2cccc(-c3ccccc3)c2)c2cccnc2n1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AKR1C3 P42330 1/20 0.41
ALK Q9UM73 1/20 0.40
SYK P43405 3/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
FEN1 P39748 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPK8 P45983 1/20 0.38
PIK3CG P48736 1/20 0.38
GSK3B P49841 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
TYK2 P29597 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL3516411 0.90 ALK (0.41) ALKFEN1MAPK14
SCHEMBL3518140 0.90 FEN1 (0.44) FEN1MAPK14
SCHEMBL3515039 0.83 FABP3 (0.43) FEN1
SCHEMBL29587261 0.81 AURKA (0.42) HDAC6FEN1MAPK14
SCHEMBL4460861 0.75 FEN1 (0.47) FEN1
SCHEMBL18136095 0.75 FEN1 (0.47) FEN1
SCHEMBL3516223 0.74 BACE1 (0.49) HDAC3HDAC1HDAC2HDAC6FEN1
SCHEMBL3516206 0.74 KDR (0.51) HDAC6
SCHEMBL2030313 0.73 MAPK8 (0.50) SYKABCG2ABCC1MAPK8PIK3CG
SCHEMBL15170684 0.73 CSNK2A2 (0.40) HDAC6FEN1

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 SIRT2 1876/4885SIRT1 1137/4885HDAC3 1996/4885

“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.