SCHEMBL5027586

SCHEMBL5027586

COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(/C=C/c3ccc(C(C)=O)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
HPGD P15428 10/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 3/20 0.39
CYP1A2 P05177 2/20 0.39
TTK P33981 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6426372 0.91 TSHR (0.47) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL5030049 0.91 AURKA (0.46) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL6427572 0.91 RECQL (0.48) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL5032372 0.91 KDM4E (0.42) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL6425928 0.89 HPGD (0.39) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL5032451 0.88 HPGD (0.45) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL5030121 0.88 HPGD (0.44) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL6426138 0.87 HPGD (0.56) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL5032418 0.87 KDM4E (0.40) AURKAAURKBHPGDKDM4EHSD17B10
SCHEMBL6428744 0.87 HPGD (0.45) AURKAAURKBHPGDKDM4EHSD17B10

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 6 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 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 AURKA 726/4885AURKB 608/4885HPGD 1849/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885AURKB 579/4885HPGD 2100/4885

“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.