SCHEMBL2265109

SCHEMBL2265109

COCCCC(=O)Nc1cccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
AR P10275 4/20 0.51
KCNH2 Q12809 3/20 0.51
RXFP1 Q9HBX9 5/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
XBP1 P17861 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL12368343 0.91 BRD4 (0.58) BRD4ARKCNH2RXFP1MAPT
SCHEMBL2267489 0.90 AR (0.49) BRD4ARKCNH2RXFP1MAPT
SCHEMBL2268902 0.88 AR (0.54) BRD4ARKCNH2RXFP1MAPT
SCHEMBL2266272 0.86 AR (0.50) BRD4ARKCNH2RXFP1MAPT
SCHEMBL2267721 0.85 AR (0.54) BRD4ARKCNH2MAPTALDH1A1
SCHEMBL3663255 0.81 AR (0.51) BRD4ARKCNH2RXFP1MAPT
SCHEMBL2269799 0.80 AR (0.56) BRD4ARKCNH2RXFP1MAPT
SCHEMBL2348027 0.79 BRD4 (0.58) BRD4ARKCNH2RXFP1MAPT
SCHEMBL3079586 0.78 BRD4 (0.70) BRD4ARKCNH2TDP1HTT
SCHEMBL2348031 0.77 BRD4 (0.54) BRD4ARKCNH2RXFP1MAPT

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 7 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
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-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 BRD4 831/4885AR 1/4885KCNH2 4406/4885

“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.