SCHEMBL3519741

SCHEMBL3519741

CC(=O)Nc1cccc(-c2cc(=O)n(O)c3ncccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CLK1 P49759 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GSK3B P49841 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK10 P53779 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43

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
SCHEMBL3516974 0.83 PDE4A (0.47) GSK3BNTRK1ALDH1A1MAP4K4TGFBR1
SCHEMBL3514799 0.81 BRD4 (0.52) BRD4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3515874 0.80 TAF1 (0.47) BRD4JAK3MAP4K4
SCHEMBL3517754 0.79 PIK3CD (0.52) MEN1KMT2A
SCHEMBL4460861 0.79 FEN1 (0.47) BRD4KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3519112 0.78 MEN1 (0.54) CLK1RXFP1MEN1KMT2AALDH1A1
SCHEMBL3517681 0.78 PRKCI (0.47) BRD4GSK3BNTRK1JAK3MELK
SCHEMBL3523521 0.77 PDE4A (0.41) MEN1KMT2AALDH1A1
SCHEMBL3516704 0.77 NR1H2 (0.45) BRD4GSK3BNTRK1
SCHEMBL3514797 0.76 AXL (0.39) BRD4KDM4ENPSR1GSK3BMEN1

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 BRD4 2682/4885CLK1 3410/4885RXFP1 2045/4885

“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.