SCHEMBL2268455

SCHEMBL2268455

N#Cc1cccc(CN2CCN(c3ccc4nnc(C(F)(F)F)n4c3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
KCNH2 Q12809 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP21A2 P08686 1/20 0.42
CYP11B1 P15538 1/20 0.42
GPR6 P46095 1/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 3/20 0.42
TACR1 P25103 1/20 0.41
MET P08581 1/20 0.41
FAAH O00519 1/20 0.40
BRD4 O60885 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CLPP Q16740 1/20 0.40
CHRM4 P08173 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2267082 0.88 AR (0.65) ARKCNH2DRD2DRD3CHRM4
SCHEMBL2262605 0.86 KDM4E (0.52) ARKCNH2L3MBTL1FAAHKDM4E
SCHEMBL2268859 0.86 ALDH1A1 (0.50) ARKCNH2DRD2DRD3KDM4E
SCHEMBL2266240 0.80 AR (0.78) ARKCNH2GPR6DRD2DRD3
SCHEMBL2269115 0.79 MAPT (0.52) ARKCNH2L3MBTL1DRD2DRD3
SCHEMBL2266443 0.79 AR (0.62) ARKCNH2L3MBTL1DRD2DRD3
SCHEMBL2264960 0.79 SCN5A (0.52) ARKCNH2KDM4EDRD4
SCHEMBL2268163 0.77 AR (0.73) ARKCNH2GPR6DRD2DRD3
SCHEMBL6864364 0.76 KDM4E (0.63) L3MBTL1DRD2TACR1KDM4EPOLB
SCHEMBL2267871 0.76 SCN5A (0.56) ARKCNH2L3MBTL1DRD2DRD3

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 4406/4885L3MBTL1 4752/4885

“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.