SCHEMBL2265090

SCHEMBL2265090

Cn1c(CN2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.62
DRD4 P21917 8/20 0.62
AR P10275 3/20 0.58
KCNH2 Q12809 2/20 0.58
MAPT P10636 3/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 1/20 0.53
XBP1 P17861 1/20 0.53
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALOX15 P16050 1/20 0.50
GFER P55789 1/20 0.49

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
SCHEMBL2267790 0.83 AR (0.58) GRM2DRD4ARKCNH2MAPT
SCHEMBL2265425 0.79 AR (0.61) ARKCNH2MAPTHPGDALDH1A1
SCHEMBL12368189 0.79 AR (0.81) ARKCNH2MAPTHPGDALDH1A1
SCHEMBL2266123 0.79 AR (0.62) ARKCNH2MAPTHPGDALDH1A1
SCHEMBL2268354 0.78 AR (0.72) ARKCNH2MAPTHPGDALDH1A1
SCHEMBL2266379 0.78 AR (0.59) DRD4ARKCNH2MAPTHPGD
SCHEMBL2269061 0.78 AR (0.59) GRM2DRD4ARKCNH2MAPT
SCHEMBL2264860 0.78 KCNH2 (0.59) DRD4ARKCNH2MAPTHPGD
SCHEMBL2266673 0.77 AR (0.64) ARKCNH2MAPTHPGDALDH1A1
SCHEMBL2266068 0.77 AR (0.64) ARKCNH2MAPTHPGDALDH1A1

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 GRM2 759/4885DRD4 4499/4885AR 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.