SCHEMBL2264960

SCHEMBL2264960

FC(F)(F)c1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.52
AR P10275 3/20 0.51
KCNH2 Q12809 3/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
DRD4 P21917 1/20 0.43
GRM2 Q14416 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CHKA P35790 1/20 0.42
RPS6KB1 P23443 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL2269115 0.91 MAPT (0.52) ARKCNH2DRD4ADRA1DADRA1A
SCHEMBL2266443 0.91 AR (0.62) SCN5AARKCNH2KDM4EDRD4
SCHEMBL2262605 0.87 KDM4E (0.52) SCN5AARKCNH2KDM4EALDH1A1
SCHEMBL2267871 0.87 SCN5A (0.56) SCN5AARKCNH2KDM4EALDH1A1
SCHEMBL2267082 0.87 AR (0.65) SCN5AARKCNH2KDM4EDRD4
SCHEMBL2266571 0.84 KCNH2 (0.45) SCN5AARKCNH2KDM4EPPARD
SCHEMBL2268859 0.82 ALDH1A1 (0.50) SCN5AARKCNH2KDM4EALDH1A1
SCHEMBL2268455 0.79 AR (0.51) ARKCNH2KDM4EDRD4
SCHEMBL2267793 0.75 SCN5A (0.48) SCN5AALDH1A1MAPT
SCHEMBL2264271 0.75 AR (0.42) SCN5AARKCNH2KDM4EDRD4

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-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 SCN5A 1404/4885AR 1/4885KCNH2 4406/4885

“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.