SCHEMBL2263083

SCHEMBL2263083

Fc1ccc(C(F)F)c(CN2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.49
KCNH2 Q12809 2/20 0.49
DPP4 P27487 3/20 0.48
PIM1 P11309 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 2/20 0.39
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 2/20 0.36
APAF1 O14727 1/20 0.36

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
SCHEMBL2264853 0.87 AR (0.68) ARKCNH2DPP4PIM1HSD17B10
SCHEMBL2266830 0.86 AR (0.51) ARKCNH2DPP4PIM1HSD17B10
SCHEMBL12368422 0.82 DPP4 (0.56) ARKCNH2DPP4PIM1HSD17B10
SCHEMBL2268837 0.79 AR (0.58) ARKCNH2DPP4PIM1HSD17B10
SCHEMBL2262913 0.79 AR (0.52) ARKCNH2DPP4PIM1HSD17B10
SCHEMBL12368135 0.78 DPP4 (0.61) ARKCNH2DPP4HSD17B10MAPT
SCHEMBL2263234 0.77 AR (0.56) ARKCNH2DPP4PIM1HSD17B10
SCHEMBL2266492 0.76 DPP4 (0.53) ARKCNH2DPP4MAPTHPGD
SCHEMBL2268614 0.75 DPP4 (0.48) ARKCNH2DPP4PIM1HSD17B10
SCHEMBL2272262 0.74 DPP4 (0.57) ARKCNH2DPP4PIM1HSD17B10

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 3 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-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.