SCHEMBL4597060

SCHEMBL4597060

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
CYP17A1 P05093 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CHRM5 P08912 1/20 0.33
CHKA P35790 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PAX8 Q06710 1/20 0.32
SSTR4 P31391 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL4597232 0.78 CYP17A1 (0.38) F2CYP17A1CHRM5CHKAGPR119
SCHEMBL481946 0.77 PAX8 (0.49) F2CYP17A1CHRM5CHKAGPR119
SCHEMBL15948302 0.76 F2 (0.38) F2CYP17A1CHRM5CHKAGPR119
Potassium SCHEMBL30601778 0.76 PAX8 (0.48) F2CYP17A1CHRM5CHKAGPR119
SCHEMBL30073325 0.73 F2 (0.47) F2CHRM5PAX8
SCHEMBL9269882 0.73 KDM4E (0.42) CYP17A1CHRM5CHKA
SCHEMBL7328872 0.72 MT-CO2 (0.41) F2CYP17A1CHRM5CHKALMNA
SCHEMBL22171271 0.72 F2 (0.43) F2CYP17A1LMNASSTR4CYP19A1
SCHEMBL19317380 0.71 F2 (0.50) F2CYP17A1GPR119LMNASSTR4
SCHEMBL3362088 0.70 F2 (0.38) F2CYP17A1LMNACYP19A1

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 F2 4613/4885CYP17A1 8/4885CTSL 398/4885

“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.