SCHEMBL5031165

SCHEMBL5031165

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.36
ACVR1B P36896 3/20 0.33
TGFBR1 P36897 3/20 0.33
ACVRL1 P37023 3/20 0.33
ACR P10323 1/20 0.33
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DHODH Q02127 1/20 0.32
KCNA3 P22001 1/20 0.31
NTRK1 P04629 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
TP53 P04637 1/20 0.31
DYRK1A Q13627 1/20 0.30
GPR52 Q9Y2T5 4/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL6429412 0.88 ACSS2 (0.39) ACSS2ACRMAPK1KDM4EMEN1
SCHEMBL6426112 0.88 ACSS2 (0.39) ACSS2ACRMAPK1KDM4EMEN1
SCHEMBL5034333 0.87 NEK2 (0.34) ALDH1A1HPGDKCNA3TUBB1CHEK1
SCHEMBL5034344 0.87 NEK2 (0.34) ALDH1A1HPGDKCNA3TUBB1CHEK1
SCHEMBL5032412 0.86 GSK3B (0.39) DYRK1ACDK2
SCHEMBL5032407 0.86 GSK3B (0.39) DYRK1ACDK2
SCHEMBL6426844 0.85 ACSS2 (0.37) ACSS2ACRMAPK1KDM4EMEN1
SCHEMBL5027692 0.84 TUBB1 (0.35) TUBB1CHEK1CCNA2CDK2KDR
SCHEMBL5027695 0.84 TUBB1 (0.35) TUBB1CHEK1CCNA2CDK2KDR
SCHEMBL5032451 0.84 HPGD (0.45) MAPK1KDM4EMEN1ALDH1A1HPGD

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-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 (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 ACSS2 3439/4885ACVR1B 1328/4885TGFBR1 1040/4885

“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.