SCHEMBL2268763

SCHEMBL2268763

FC(F)(F)c1nnc2ccc(N3CCN(c4cccc(Cl)c4)CC3)nn12

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
HPGD P15428 2/20 0.74
ALDH1A1 P00352 2/20 0.63
XBP1 P17861 1/20 0.63
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALOX15 P16050 1/20 0.59
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 2/20 0.57
TP53 P04637 1/20 0.57
AR P10275 5/20 0.56
KCNH2 Q12809 4/20 0.56
DPP4 P27487 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL2267747 0.87 MAPT (0.76) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL23657770 0.85 MAPT (1.00) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL2265096 0.84 AR (0.72) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL2266376 0.80 AR (0.67) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL2265805 0.80 MAPT (0.71) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL2264866 0.79 MAPT (0.79) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL2267798 0.79 MAPT (0.52) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL748468 0.78 MAPT (0.77) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL18126711 0.77 HTT (0.74) MAPTHPGDALDH1A1XBP1HTT
SCHEMBL2262575 0.77 MAPT (1.00) MAPTHPGDALDH1A1XBP1HTT

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 claimed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US 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-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 MAPT 2987/4885HPGD 438/4885ALDH1A1 806/4885

“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.