SCHEMBL2264860

SCHEMBL2264860

FC(F)(F)c1nnc2ccc(N3CCN(Cc4nc5ccccc5s4)CC3)nn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.59
AR P10275 5/20 0.59
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.52
XBP1 P17861 1/20 0.52
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
DRD3 P35462 4/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 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
SCHEMBL2268186 0.82 AR (0.59) KCNH2ARMAPTHPGDALOX15
SCHEMBL2265425 0.80 AR (0.61) KCNH2ARMAPTHPGDALOX15
SCHEMBL12368189 0.80 AR (0.81) KCNH2ARMAPTHPGDALOX15
SCHEMBL2266673 0.80 AR (0.64) KCNH2ARMAPTHPGDALOX15
SCHEMBL2266379 0.78 AR (0.59) KCNH2ARMAPTHPGDALOX15
SCHEMBL2269035 0.78 AR (0.63) KCNH2ARMAPTHPGDALOX15
SCHEMBL2269061 0.78 AR (0.59) KCNH2ARMAPTHPGDALOX15
SCHEMBL2265090 0.78 GRM2 (0.62) KCNH2ARMAPTHPGDALOX15
SCHEMBL2265130 0.78 AR (0.74) KCNH2ARMAPTHPGDALOX15
SCHEMBL2268654 0.78 AR (0.64) KCNH2ARMAPTHPGDALOX15

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 KCNH2 4406/4885AR 1/4885MAPT 2987/4885

“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.