SCHEMBL2262902

SCHEMBL2262902

CC1CN(Cc2ccccc2)CCN1c1ccc2nnc(C(F)(F)Cl)n2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.48
KCNH2 Q12809 2/20 0.48
DPP4 P27487 4/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
XBP1 P17861 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP2D6 P10635 1/20 0.37
GSK3B P49841 1/20 0.37
SGPL1 O95470 1/20 0.37
MGLL Q99685 1/20 0.36
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL12368278 0.93 AR (0.56) ARKCNH2DPP4MAPTHPGD
SCHEMBL12368279 0.93 AR (0.56) ARKCNH2DPP4MAPTHPGD
SCHEMBL2263743 0.84 AR (0.55) ARKCNH2DPP4MAPTHPGD
SCHEMBL2264615 0.83 LMNA (0.50) ARKCNH2MAPTHPGDKDM4E
SCHEMBL2269034 0.83 LMNA (0.50) ARKCNH2MAPTHPGDKDM4E
SCHEMBL12368177 0.82 AR (0.69) ARKCNH2DPP4MAPTHPGD
SCHEMBL2269052 0.79 AR (0.51) ARKCNH2DPP4MAPTHPGD
SCHEMBL2266474 0.78 MAPT (0.49) ARKCNH2DPP4MAPTHPGD
SCHEMBL12368134 0.78 MAPT (0.49) ARKCNH2DPP4MAPTHPGD
SCHEMBL2266132 0.75 MAPT (0.57) ARKCNH2DPP4MAPTHPGD

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 6 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
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
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 4406/4885DPP4 4092/4885

“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.