SCHEMBL2269035

SCHEMBL2269035

FC(F)(F)c1nnc2ccc(N3CCN(Cc4csc5ccccc45)CC3)nn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.63
KCNH2 Q12809 5/20 0.59
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.52
XBP1 P17861 1/20 0.52
ALOX15 P16050 1/20 0.51
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CHRNA7 P36544 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
BRD4 O60885 2/20 0.41
DPP4 P27487 2/20 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
SCHEMBL2265130 0.84 AR (0.74) ARKCNH2MAPTHPGDHTT
SCHEMBL2264384 0.81 AR (0.74) ARKCNH2MAPTHPGDHTT
SCHEMBL2265292 0.81 AR (0.84) ARKCNH2MAPTHPGDHTT
SCHEMBL2262580 0.81 AR (0.64) ARKCNH2MAPTHPGDHTT
SCHEMBL2268354 0.81 AR (0.72) ARKCNH2MAPTHPGDHTT
SCHEMBL2263243 0.81 AR (0.72) ARKCNH2MAPTHPGDHTT
SCHEMBL2268646 0.80 AR (0.63) ARKCNH2MAPTHPGDHTT
SCHEMBL12368189 0.80 AR (0.81) ARKCNH2MAPTHPGDHTT
SCHEMBL2266123 0.80 AR (0.62) ARKCNH2MAPTHPGDHTT
SCHEMBL2269028 0.79 AR (0.65) ARKCNH2MAPTHPGDHTT

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 AR 1/4885KCNH2 4406/4885MAPT 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.