SCHEMBL4597232

SCHEMBL4597232

CC(=O)N(C(=O)OC(C)(C)C)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.38
F2 P00734 4/20 0.38
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
CHEK2 O96017 1/20 0.37
PIM1 P11309 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PRKX P51817 1/20 0.37
PLK1 P53350 1/20 0.37
CSNK1G2 P78368 1/20 0.37
PRKCZ Q05513 1/20 0.37
ROCK1 Q13464 1/20 0.37
PRKG1 Q13976 1/20 0.37
CDC42BPA Q5VT25 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
SCHEMBL6182625 0.83 CRHBP (0.41) GSK3BPAX8
SCHEMBL2378598 0.80 NPC1 (0.40) LMNAMAPTPAX8SSTR4
SCHEMBL10338665 0.80 CHRM5 (0.48) CDC7PLK4DAPK3ROCK2CHEK2
SCHEMBL481946 0.79 PAX8 (0.49) CYP17A1F2CHRM5CHKALMNA
SCHEMBL15948302 0.78 F2 (0.38) CYP17A1F2CDC7PLK4DAPK3
Potassium SCHEMBL30601778 0.78 PAX8 (0.48) CYP17A1F2CHRM5CHKALMNA
SCHEMBL4597060 0.78 F2 (0.36) CYP17A1F2CHRM5CHKALMNA
SCHEMBL30073325 0.75 F2 (0.47) F2GSK3BCHRM5PAX8
SCHEMBL7328872 0.74 MT-CO2 (0.41) CYP17A1F2CDC7PLK4DAPK3
SCHEMBL19317380 0.73 F2 (0.50) CYP17A1F2ROCK2LMNAGPR119

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122242-B1 CYANOPHENYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-01-16 EP disclosed
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US disclosed
US-6673799-B1 INHIBITS BINDING TO ANDROGEN RECEPTOR; ANTIANDROGEN YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-01-06 US disclosed
EP-1122242-A1 CYANOPHENYL DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-08-08 EP 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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 CYP17A1 8/4885F2 4613/4885CDC7 1065/4885

“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.