SCHEMBL3515874

SCHEMBL3515874

CNC(=O)c1cccc(-c2cc(=O)n(O)c3ncccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.47
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLK1 P53350 1/20 0.41
CDK8 P49336 1/20 0.41
ELANE P08246 2/20 0.41
CECR2 Q9BXF3 1/20 0.40
PDE4A P27815 1/20 0.40
KCNH2 Q12809 1/20 0.40
FYN P06241 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
MET P08581 1/20 0.39
SYK P43405 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL3523521 0.88 PDE4A (0.41) TAF1ELANEPDE4AKCNH2
SCHEMBL3516974 0.85 PDE4A (0.47) CDK8ELANEPDE4AKCNH2FYN
SCHEMBL3517681 0.85 PRKCI (0.47) ELANEPDE4AFYNSYKJAK3
SCHEMBL3515036 0.80 SLC6A7 (0.46) TAF1ELANECECR2ATRATRIP
SCHEMBL3519741 0.80 BRD4 (0.47) MAP4K4JAK3BRD4
SCHEMBL3517754 0.79 PIK3CD (0.52) ELANEFYN
SCHEMBL4460861 0.79 FEN1 (0.47) BRD4
SCHEMBL3514538 0.78 HPGD (0.50) TAF1CECR2ATRATRIPMAP4K4
SCHEMBL3516704 0.77 NR1H2 (0.45) PDE4AKCNH2METJAK2BRD4
SCHEMBL3514797 0.76 AXL (0.39) CDK8ELANEBRD4ACVR1

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 TAF1 805/4885KDM5A 2846/4885KDM4C 2152/4885

“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.