SCHEMBL2268879

SCHEMBL2268879

FC(F)(F)c1nnc2ccc(N3CCC(c4c[nH]c5ncccc45)CC3)nn12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.49
AR P10275 6/20 0.48
KCNH2 Q12809 5/20 0.48
ALDH1A1 P00352 1/20 0.48
XBP1 P17861 1/20 0.48
OPRL1 P41146 4/20 0.47
OPRM1 P35372 3/20 0.47
OPRK1 P41145 3/20 0.47
BRD4 O60885 4/20 0.46
CTSS P25774 1/20 0.46
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2265201 0.85 MAPT (0.55) HTTTDP1MAPTHPGDALOX15
SCHEMBL2265149 0.83 HTT (0.51) HTTTDP1MAPTHPGDALOX15
SCHEMBL2268941 0.77 AR (0.62) HTTTDP1MAPTHPGDALOX15
SCHEMBL2266153 0.76 DGAT1 (0.56) HTTTDP1MAPTHPGDALOX15
SCHEMBL2265031 0.76 AR (0.53) HTTTDP1MAPTHPGDALOX15
SCHEMBL2263836 0.76 DPP4 (0.47) HTTTDP1MAPTHPGDALOX15
SCHEMBL3074385 0.76 OPRL1 (0.47) ARKCNH2OPRL1OPRM1OPRK1
SCHEMBL12368262 0.75 MAPT (0.70) HTTTDP1MAPTHPGDALOX15
SCHEMBL2265223 0.75 BRD4 (0.46) HTTTDP1MAPTHPGDALOX15
SCHEMBL2266128 0.74 HTT (0.71) HTTTDP1MAPTHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP claimed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO claimed
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
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
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
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 HTT 3680/4885TDP1 3462/4885MAPT 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.