SCHEMBL2266944

SCHEMBL2266944

O=C(NCCN1CCOCC1)c1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.57
KCNH2 Q12809 3/20 0.57
AR P10275 2/20 0.57
ALOX15 P16050 1/20 0.54
CD274 Q9NZQ7 8/20 0.52
EPHX2 P34913 2/20 0.51
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2265784 0.84 BRD4 (0.57) BRD4KCNH2ARALOX15HPGD
SCHEMBL2266731 0.84 BRD4 (0.56) BRD4KCNH2ARALOX15HPGD
SCHEMBL2348027 0.84 BRD4 (0.58) BRD4KCNH2ARALOX15HPGD
SCHEMBL2267097 0.82 ALOX15 (0.56) BRD4KCNH2ARALOX15HPGD
SCHEMBL2262571 0.80 AR (0.60) BRD4KCNH2ARALOX15HPGD
SCHEMBL2264747 0.78 BRD4 (0.61) BRD4KCNH2ARALOX15HPGD
SCHEMBL748865 0.76 HTT (0.62) BRD4KCNH2ARALOX15HPGD
SCHEMBL2348031 0.75 BRD4 (0.54) BRD4KCNH2ARALOX15HPGD
SCHEMBL2264015 0.75 AR (0.57) BRD4KCNH2ARALOX15HPGD
SCHEMBL3713568 0.74 BRD4 (0.57) BRD4KCNH2ARALOX15HPGD

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

“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.