SCHEMBL747839

SCHEMBL747839

CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)C[C@H]1C

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.78
BRD4 O60885 6/20 0.60
KCNH2 Q12809 6/20 0.60
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 1/20 0.39
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL751645 1.00 AR (0.78) ARBRD4KCNH2DRD2DRD3
SCHEMBL752809 0.88 AR (1.00) ARBRD4KCNH2DRD3HTT
SCHEMBL745792 0.87 BRD4 (0.79) ARBRD4KCNH2
SCHEMBL751075 0.87 BRD4 (0.79) ARBRD4KCNH2
SCHEMBL747346 0.83 AR (0.76) ARBRD4KCNH2HTTTDP1
SCHEMBL745725 0.81 AR (0.72) ARBRD4KCNH2HTTTDP1
SCHEMBL750071 0.81 AR (0.73) ARBRD4KCNH2HTTTDP1
SCHEMBL746806 0.81 AR (0.73) ARBRD4KCNH2HTTTDP1
SCHEMBL2267788 0.79 AR (0.70) ARBRD4KCNH2HTTTDP1
SCHEMBL2263138 0.79 AR (0.70) ARBRD4KCNH2HTTTDP1

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