SCHEMBL2266620

SCHEMBL2266620

FC(F)(F)c1nnc2ccc(N3CC[C@@H](Oc4cccnc4)C3)nn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.55
KCNH2 Q12809 4/20 0.55
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 1/20 0.47
XBP1 P17861 1/20 0.47
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DPP4 P27487 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
LMNA P02545 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL2266336 1.00 AR (0.55) ARKCNH2HTTTDP1MAPT
SCHEMBL12368276 0.89 MAPT (0.60) ARKCNH2HTTTDP1MAPT
SCHEMBL12368277 0.89 MAPT (0.60) ARKCNH2HTTTDP1MAPT
SCHEMBL2271010 0.88 HTT (0.54) ARKCNH2HTTTDP1MAPT
SCHEMBL2267711 0.88 HTT (0.54) ARKCNH2HTTTDP1MAPT
SCHEMBL12368267 0.82 MAPT (0.65) ARKCNH2HTTTDP1MAPT
SCHEMBL2265870 0.81 MAPT (0.53) ARKCNH2HTTTDP1MAPT
SCHEMBL2266827 0.81 MAPT (0.53) ARKCNH2HTTTDP1MAPT
SCHEMBL12368235 0.80 MAPT (0.61) ARKCNH2HTTTDP1MAPT
SCHEMBL2268941 0.79 AR (0.62) ARKCNH2HTTTDP1MAPT

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 6 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
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US 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
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US 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

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 AR 1/4885KCNH2 4406/4885HTT 3680/4885

“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.