SCHEMBL6430140

SCHEMBL6430140

COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(/C=C/c3ccccn3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDR P35968 6/20 0.42
HPGD P15428 5/20 0.42
ELANE P08246 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FGFR1 P11362 3/20 0.41
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
MAP4K4 O95819 2/20 0.41
PAK4 O96013 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 0.41
CSF1R P07333 2/20 0.41
RET P07949 2/20 0.41
MET P08581 2/20 0.41

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
SCHEMBL5030121 0.88 HPGD (0.44) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL6426318 0.88 ALDH1A1 (0.44) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL5032372 0.88 KDM4E (0.42) KDM4EGAAHSD17B10ALDH1A1KDR
SCHEMBL6428750 0.85 HPGD (0.46) KDM4EGAAHSD17B10ALDH1A1KDR
SCHEMBL6426372 0.85 TSHR (0.47) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL5031151 0.85 ALDH1A1 (0.42) KDM4EGAAHSD17B10ALDH1A1KDR
SCHEMBL5032418 0.85 KDM4E (0.40) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL6427572 0.84 RECQL (0.48) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL5027586 0.84 AURKA (0.40) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL6425928 0.83 HPGD (0.39) KDM4EGAAHSD17B10ALDH1A1HPGD

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B KDM4E 2795/4885GAA 4714/4885HSD17B10 2288/4885

“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.