SCHEMBL2266451

SCHEMBL2266451

COc1ccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cn1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.68
KCNH2 Q12809 6/20 0.68
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
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
DPP4 P27487 2/20 0.46
BRD4 O60885 2/20 0.45
CYP1A2 P05177 1/20 0.44
RET P07949 3/20 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
SCHEMBL2264692 0.91 AR (0.67) ARKCNH2HTTTDP1MAPT
SCHEMBL2269022 0.90 AR (0.64) ARKCNH2HTTTDP1MAPT
SCHEMBL2267840 0.88 AR (0.73) ARKCNH2HTTTDP1MAPT
SCHEMBL2264408 0.87 AR (0.72) ARKCNH2HTTTDP1MAPT
SCHEMBL2263316 0.87 AR (0.63) ARKCNH2HTTTDP1MAPT
SCHEMBL2266723 0.86 AR (0.77) ARKCNH2HTTTDP1MAPT
SCHEMBL2264256 0.85 AR (0.75) ARKCNH2HTTTDP1MAPT
SCHEMBL2267179 0.83 ALOX15 (0.70) ARKCNH2HTTTDP1MAPT
SCHEMBL2267598 0.83 AR (0.69) ARKCNH2HTTTDP1MAPT
SCHEMBL2265480 0.82 AR (0.71) 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 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 4406/4885HTT 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.