SCHEMBL3517459

SCHEMBL3517459

O=c1cc(-c2ccc3ccccc3c2)c2cccnc2n1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
FEN1 P39748 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DHFR P00374 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 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
SCHEMBL3518307 0.88 POLB (0.50) FEN1CCNCCDK8
SCHEMBL4460861 0.85 FEN1 (0.47) FEN1ALDH1A1TSHRCYP2C19
SCHEMBL3515756 0.82 LCK (0.43) FEN1CCNCCDK8
SCHEMBL3517544 0.81 FEN1 (0.42) FEN1KDM4E
SCHEMBL3517754 0.80 PIK3CD (0.52) FEN1
SCHEMBL3519477 0.78 GLO1 (0.41) FEN1CYP11B1KDM4E
SCHEMBL3514797 0.77 AXL (0.39) FEN1KDM4ECDK8
SCHEMBL3515077 0.77 PRKCI (0.41) FEN1
SCHEMBL3518501 0.76 NPC1 (0.39) FEN1MIFALDH1A1
SCHEMBL3517681 0.76 PRKCI (0.47) 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 GSTP1 2116/4885HDAC4 973/4885HDAC2 1530/4885

“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.