SCHEMBL20046772

SCHEMBL20046772

Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
CYP11B2 P19099 2/20 0.47
CASP1 P29466 1/20 0.46
AR P10275 11/20 0.45
KEAP1 Q14145 1/20 0.45
KMT2A Q03164 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42

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
SCHEMBL24031499 0.83 AR (0.52) CYP11B2CASP1AR
SCHEMBL24428288 0.82 AR (0.52) CYP11B2CASP1AR
SCHEMBL3322155 0.81 KEAP1 (0.45) SCN9AARKEAP1KMT2A
SCHEMBL27880682 0.80 AR (0.46) CYP11B2CASP1AREGLN2
SCHEMBL1810935 0.80 AR (0.48) CYP11B2CASP1AR
SCHEMBL14648841 0.80 KEAP1 (0.53) KEAP1KMT2A
SCHEMBL29598873 0.80 KEAP1 (0.53) KEAP1KMT2A
SCHEMBL22873438 0.78 CASP1 (0.47) CYP11B2CASP1AR
SCHEMBL1813265 0.77 AR (0.46) CASP1AREGLN2
SCHEMBL1815502 0.77 AR (0.46) CASP1AREGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN SCN9A 4806/4885CYP11B2 270/4885CASP1 3382/4885

“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.