SCHEMBL13435309

SCHEMBL13435309

O=c1cc(-c2cccc(-c3cccc(CNCc4ccccc4)c3)c2)c2cccnc2n1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
IDH1 O75874 1/20 0.38
MAPT P10636 1/20 0.38
FEN1 P39748 1/20 0.38
CTSB P07858 1/20 0.38
BRD4 O60885 3/20 0.38
LIPG Q9Y5X9 2/20 0.37
AOC3 Q16853 2/20 0.37
NSD2 O96028 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
DHPS P49366 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
SCHEMBL3514716 0.84 PRMT5 (0.39) IDH1FEN1
SCHEMBL3515077 0.83 PRKCI (0.41) IDH1FEN1
SCHEMBL3518794 0.83 CHUK (0.35) CYP2D6MAPTFEN1BRD4LIPG
SCHEMBL3519733 0.82 PRMT5 (0.40) IDH1MAPTFEN1AKT1
SCHEMBL4460861 0.81 FEN1 (0.47) FEN1BRD4ALDH1A1
SCHEMBL3515937 0.81 DRD2 (0.47) ALOX15MAPTALDH1A1
SCHEMBL3516378 0.81 PLA2G10 (0.43) IDH1MAPT
SCHEMBL3516380 0.80 PTPN1 (0.39) LIPGALDH1A1
SCHEMBL3515731 0.78 VHL (0.39) DHPSAKT1
SCHEMBL3517754 0.77 PIK3CD (0.52) IDH1FEN1

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 2 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

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 CYP1A2 896/4885CYP2D6 743/4885ALOX15 3196/4885

“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.