SCHEMBL751236

SCHEMBL751236

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)C(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.61
AR P10275 7/20 0.54
KCNH2 Q12809 5/20 0.54
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
XBP1 P17861 1/20 0.41
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL749938 0.90 BRD4 (0.77) BRD4ARKCNH2
SCHEMBL3073024 0.88 AR (0.65) BRD4ARKCNH2MAPTHPGD
SCHEMBL749755 0.87 BRD4 (0.79) BRD4ARKCNH2MAPTHPGD
SCHEMBL748457 0.86 AR (0.60) BRD4ARKCNH2MAPTHPGD
SCHEMBL2268416 0.80 HTT (0.59) BRD4ARKCNH2MAPTHPGD
SCHEMBL749360 0.80 BRD4 (0.59) BRD4ARKCNH2MAPTHPGD
SCHEMBL750060 0.79 BRD4 (0.79) BRD4ARKCNH2MAPTHPGD
SCHEMBL748087 0.78 BRD4 (0.83) BRD4ARKCNH2
SCHEMBL748875 0.78 AR (0.73) BRD4ARKCNH2MAPTHPGD
SCHEMBL2266249 0.77 HTT (0.61) BRD4ARKCNH2MAPTHPGD

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
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 BRD4 635/4885AR 1/4885KCNH2 1951/4885

“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.