SCHEMBL5414079

SCHEMBL5414079

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5nc6ncccc6n5C)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.55
KCNH2 Q12809 6/20 0.50

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
SCHEMBL14504043 1.00 AR (0.55) ARKCNH2
SCHEMBL5414088 1.00 AR (0.55) ARKCNH2
SCHEMBL5405626 0.90 AR (0.54) ARKCNH2
SCHEMBL5405620 0.90 AR (0.54) ARKCNH2
SCHEMBL5346337 0.84 AR (0.53) ARKCNH2
SCHEMBL14336560 0.84 AR (0.53) ARKCNH2
SCHEMBL5346343 0.84 AR (0.53) ARKCNH2
SCHEMBL5344016 0.82 AR (0.55) ARKCNH2
SCHEMBL5344028 0.82 AR (0.55) ARKCNH2
SCHEMBL14504025 0.82 AR (0.55) ARKCNH2

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
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 US claimed
US-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2006-12-21 US claimed
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2006-12-21 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-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, NR5A1 AR 1/4885KCNH2 4299/4885

“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.