SCHEMBL2265039

SCHEMBL2265039

FC(F)(F)Cc1nnc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nn12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.42
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
AR P10275 2/20 0.40
KCNH2 Q12809 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 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
SCHEMBL2265218 0.83 MAPT (0.72) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL2266395 0.80 DPP4 (0.58) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL2263427 0.80 HTT (0.64) MAPTHPGDHTTTDP1SMN1; SMN2
SCHEMBL2265175 0.79 DPP4 (0.62) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL2266047 0.79 DPP4 (0.65) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL15077934 0.79 DPP4 (0.83) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL2268605 0.78 MAPT (0.65) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL2268962 0.76 DPP4 (0.64) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL2266562 0.75 MAPT (0.60) DPP4MAPTHPGDALDH1A1HTT
SCHEMBL2264031 0.72 MAPT (0.69) DPP4MAPTHPGDALDH1A1HTT

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 DPP4 4092/4885MAPT 2987/4885HPGD 438/4885

“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.