SCHEMBL2269243

SCHEMBL2269243

FC(F)(F)c1nnc2ccc(N3CC4CC3CN4Cc3ccccc3)nn12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
AR P10275 5/20 0.47
KCNH2 Q12809 4/20 0.47
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.42
XBP1 P17861 1/20 0.42
HDAC1 Q13547 1/20 0.42
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DPP4 P27487 4/20 0.39
LMNA P02545 1/20 0.39
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
RET P07949 1/20 0.37

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
SCHEMBL12368134 0.81 MAPT (0.49) MAPTHPGDARKCNH2HTT
SCHEMBL2266474 0.81 MAPT (0.49) MAPTHPGDARKCNH2HTT
SCHEMBL12368428 0.77 MAPT (0.57) MAPTHPGDARKCNH2HTT
SCHEMBL12368273 0.76 MAPT (0.59) MAPTHPGDARKCNH2HTT
SCHEMBL12368278 0.76 AR (0.56) MAPTHPGDARKCNH2HTT
SCHEMBL12368275 0.76 MAPT (0.59) MAPTHPGDARKCNH2HTT
SCHEMBL12368279 0.76 AR (0.56) MAPTHPGDARKCNH2HTT
SCHEMBL2267863 0.75 AR (0.60) MAPTHPGDARKCNH2HTT
SCHEMBL12368189 0.73 AR (0.81) MAPTHPGDARKCNH2HTT
SCHEMBL3109279 0.72 CSNK1E (0.67) HDAC1RET

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 MAPT 2987/4885HPGD 438/4885AR 1/4885

“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.