SCHEMBL6468898

SCHEMBL6468898

COC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2nc(C#N)cs2)c1C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.64
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL5364810 0.86 AR (0.59) ARKDM4EMAPK1LMNAMAPT
SCHEMBL6465312 0.81 AR (0.89) ARKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6468792 0.79 AR (0.80) ARKDM4EMEN1KMT2AALDH1A1
SCHEMBL6468830 0.79 AR (0.80) ARKDM4EMEN1KMT2ACYP11B1
SCHEMBL6469318 0.78 AR (0.70) ARCYP11B1CYP11B2MAPT
SCHEMBL6468911 0.78 AR (1.00) ARALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6468098 0.78 AR (0.69) ARKDM4EMEN1KMT2ACYP11B1
SCHEMBL6465292 0.77 AR (0.82) ARKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL5364332 0.77 AR (0.58) ARKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL5361382 0.77 AR (0.48) ARKDM4EALDH1A1SMN1; SMN2MAPK1

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885KDM4E 1858/4885MEN1 2050/4885

“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.