SCHEMBL3134632

SCHEMBL3134632

CCOC(=O)C1=NN2C(N)=N/C(=N/c3ccc(C#N)c(C(F)(F)F)c3)C2(C)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.39
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL3134642 1.00 AR (0.39) ARALDH1A1MAPT
SCHEMBL13271067 1.00 AR (0.39) ARALDH1A1MAPT
SCHEMBL13271004 0.82 AR (0.35) AR
SCHEMBL3125455 0.82 AR (0.35) AR
Water SCHEMBL3257184 0.82 AR (0.35) AR
SCHEMBL3125461 0.82 AR (0.35) AR
Water SCHEMBL3255068 0.82 AR (0.35) AR
SCHEMBL13480441 0.82 AR (0.35) AR
SCHEMBL3129920 0.82 AR (0.35) AR
SCHEMBL3136723 0.82 AR (0.35) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991223-B1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-14 EP disclosed
US-7655683-B2 Imidazolopyrazole derivatives useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2010-02-02 US disclosed
US-20070197616-A1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 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-20070197616-A1 NOVEL IMIDAZOLOPYRAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, NR5A2 AR 1/4885ALDH1A1 1389/4885MAPT 2388/4885

“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.