SCHEMBL3515039

SCHEMBL3515039

O=c1cc(Nc2ccccc2-c2ccccc2)c2cccnc2n1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
CDC25B P30305 1/20 0.41
FEN1 P39748 3/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GLO1 Q04760 2/20 0.38
ATM Q13315 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PDE4B Q07343 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 1/20 0.37
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
AURKA O14965 1/20 0.37
KDM6B O15054 1/20 0.37
KDM5A P29375 1/20 0.37

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
SCHEMBL3516411 0.85 ALK (0.41) FEN1GLO1S1PR1S1PR3AURKA
SCHEMBL3518140 0.84 FEN1 (0.44) CDC25BFEN1KDM4EATMALDH1A1
SCHEMBL3514751 0.83 SIRT2 (0.45) FEN1
SCHEMBL4460861 0.83 FEN1 (0.47) FEN1GLO1S1PR1S1PR3ALDH1A1
SCHEMBL18136095 0.77 FEN1 (0.47) FEN1KDM4EALDH1A1CYP2C19KDM6B
SCHEMBL3533920 0.76 PIM1 (0.47) ALDH1A1TSHR
SCHEMBL3516223 0.76 BACE1 (0.49) FEN1KDM4EHTTHSD17B10
SCHEMBL3516206 0.76 KDR (0.51) ALDH1A1CYP2C19
SCHEMBL29587261 0.76 AURKA (0.42) FEN1KDM4EAURKAALOX15HSD17B10
SCHEMBL3515097 0.75 SMN1; SMN2 (0.48) KDM4EALDH1A1CYP2C19

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 FABP3 4611/4885FABP4 4545/4885FABP5 4453/4885

“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.