SCHEMBL3515136

SCHEMBL3515136

O=c1ccc2ncccc2n1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.47
RPS6KA5 O75582 2/20 0.43
KDM4E B2RXH2 5/20 0.40
MAPT P10636 1/20 0.40
MET P08581 4/20 0.39
FEN1 P39748 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27923254 0.78 RPS6KA5 (0.44) DAORPS6KA5KDM4EMAPTMET
SCHEMBL28026163 0.77 RPS6KA5 (0.43) DAORPS6KA5KDM4EMAPTMET
SCHEMBL28014515 0.77 RPS6KA5 (0.47) RPS6KA5KDM4EMAPTMETSLC22A12
SCHEMBL3230718 0.77 BRPF1 (0.50) RPS6KA5KDM4EMAPTMETALDH1A1
Hydrochloric Acid SCHEMBL3987570 0.76 BRPF1 (0.48) RPS6KA5KDM4EMAPTMETALDH1A1
SCHEMBL7898823 0.74 KDM4E (0.56) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL2206357 0.73 SMN1; SMN2 (0.44) RPS6KA5KDM4EMAPTMETKMT2A
SCHEMBL13767381 0.73 ALDH1A1 (0.44) RPS6KA5KDM4EMAPTALDH1A1HPGD
SCHEMBL3777821 0.73 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3778294 0.72 ALDH1A1 (0.69) KDM4EMAPTKMT2AALDH1A1HPGD

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 3 patents. 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
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 DAO 3247/4885RPS6KA5 945/4885KDM4E 2380/4885

“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.