SCHEMBL2266538

SCHEMBL2266538

N#Cc1ccc(CN2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.92

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.92
KCNH2 Q12809 5/20 0.92
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
XBP1 P17861 1/20 0.49
DPP4 P27487 2/20 0.46
PRKAA2 P54646 1/20 0.43
BRD4 O60885 2/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CCR2 P41597 1/20 0.41
PIM1 P11309 1/20 0.40

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
SCHEMBL2264735 0.96 AR (1.00) ARKCNH2HTTTDP1MAPT
SCHEMBL2268163 0.89 AR (0.73) ARKCNH2HTTTDP1MAPT
SCHEMBL3713384 0.88 AR (0.71) ARKCNH2HTTTDP1MAPT
SCHEMBL2263330 0.88 AR (0.92) ARKCNH2HTTTDP1MAPT
SCHEMBL2268677 0.88 AR (0.77) ARKCNH2HTTTDP1MAPT
SCHEMBL2266471 0.88 AR (0.77) ARKCNH2HTTTDP1MAPT
SCHEMBL2264772 0.87 AR (0.75) ARKCNH2HTTTDP1MAPT
SCHEMBL2268907 0.86 AR (0.81) ARKCNH2HTTTDP1MAPT
SCHEMBL2264403 0.85 AR (0.78) ARKCNH2HTTTDP1MAPT
SCHEMBL2266240 0.84 AR (0.78) ARKCNH2HTTTDP1MAPT

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 2 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

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 4406/4885HTT 3680/4885

“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.