SCHEMBL6428744

SCHEMBL6428744

COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(/C=C/c3ccc(F)c(F)c3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.45
KDM4E B2RXH2 5/20 0.43
AURKA O14965 4/20 0.43
AURKB Q96GD4 4/20 0.43
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TNFRSF1A P19438 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6426873 0.94 HPGD (0.47) HPGDKDM4EAURKAAURKBHSD17B10
SCHEMBL6425758 0.94 HPGD (0.47) HPGDKDM4EAURKAAURKBHSD17B10
SCHEMBL5032451 0.93 HPGD (0.45) HPGDKDM4EAURKAAURKBHSD17B10
SCHEMBL6427572 0.91 RECQL (0.48) HPGDKDM4EAURKAAURKBHSD17B10
SCHEMBL6426138 0.89 HPGD (0.56) HPGDKDM4EAURKAAURKBHSD17B10
SCHEMBL6426372 0.88 TSHR (0.47) HPGDKDM4EAURKAAURKBHSD17B10
SCHEMBL4154690 0.87 APEX1 (0.42) HPGDKDM4EAURKAAURKBMAPT
SCHEMBL4154688 0.87 APEX1 (0.42) HPGDKDM4EAURKAAURKBMAPT
SCHEMBL5032372 0.87 KDM4E (0.42) HPGDKDM4EAURKAAURKBHSD17B10
SCHEMBL6426235 0.87 HPGD (0.45) HPGDKDM4EAURKAAURKBHSD17B10

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HPGD 1849/4885KDM4E 2622/4885AURKA 726/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGD 2100/4885KDM4E 2795/4885AURKA 710/4885

“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.