SCHEMBL3517754

SCHEMBL3517754

O=c1cc(-c2cccc(O)c2)c2cccnc2n1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.52
CDC7 O00311 1/20 0.49
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
FABP1 P07148 1/20 0.41
FEN1 P39748 2/20 0.40
FYN P06241 1/20 0.39
IDH1 O75874 1/20 0.38
RIPK1 Q13546 1/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
ELANE P08246 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASR P41180 1/20 0.36
DAO P14920 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
SCHEMBL4460861 0.86 FEN1 (0.47) CCNE1CDK2FEN1KMT2ADAO
SCHEMBL8691820 0.85 PIK3CD (0.51) PIK3CDCDC7CCNE1CDK2FABP1
SCHEMBL3514797 0.83 AXL (0.39) PIK3CDFEN1ELANEMEN1KMT2A
SCHEMBL3515077 0.83 PRKCI (0.41) PIK3CDFEN1FYNIDH1PIK3CA
SCHEMBL3519733 0.82 PRMT5 (0.40) PIK3CDFEN1IDH1ELANE
SCHEMBL3517681 0.82 PRKCI (0.47) CDC7CDK2FEN1FYNIDH1
SCHEMBL3517544 0.82 FEN1 (0.42) CDC7FEN1ELANEDAO
SCHEMBL3516305 0.81 BRD4 (0.50)
SCHEMBL3516704 0.81 NR1H2 (0.45) FEN1
SCHEMBL3514716 0.80 PRMT5 (0.39) FEN1IDH1

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 4 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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US 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 PIK3CD 2576/4885CDC7 2061/4885CCNE1 329/4885

“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.