SCHEMBL2265805

SCHEMBL2265805

FC(F)(F)c1nnc2ccc(N3CCN(c4ccccc4Cl)CC3)nn12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
HPGD P15428 2/20 0.71
HTT P42858 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH1A1 P00352 3/20 0.63
XBP1 P17861 1/20 0.63
ALOX15 P16050 1/20 0.63
HSD17B10 Q99714 4/20 0.60
TP53 P04637 1/20 0.60
AR P10275 5/20 0.60
KCNH2 Q12809 4/20 0.60
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 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
SCHEMBL2271197 0.86 MAPT (0.76) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL2263243 0.84 AR (0.72) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL23657770 0.83 MAPT (1.00) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL2271830 0.81 MAPT (0.65) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL2266420 0.81 AR (0.66) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL12368189 0.81 AR (0.81) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL2269516 0.81 AR (0.67) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL18126711 0.80 HTT (0.74) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL24095032 0.80 MAPT (0.57) MAPTHPGDHTTTDP1ALDH1A1
SCHEMBL2268763 0.80 MAPT (0.74) MAPTHPGDHTTTDP1ALDH1A1

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 438/4885HTT 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.