SCHEMBL750902

SCHEMBL750902

FC(F)(F)c1nnc2ccc(N3CCN(c4ccc(OCCCN5CCNCC5)cc4)CC3)nn12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
AR P10275 6/20 0.53
KCNH2 Q12809 5/20 0.53
BRD4 O60885 4/20 0.53
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.47
XBP1 P17861 1/20 0.47
HRH3 Q9Y5N1 4/20 0.43
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL2266295 0.88 BRD4 (0.69) ARKCNH2BRD4HTTTDP1
SCHEMBL748875 0.85 AR (0.73) MAPTHPGDARKCNH2BRD4
SCHEMBL748521 0.84 MAPT (0.64) MAPTHPGDARKCNH2BRD4
SCHEMBL752905 0.83 MAPT (0.65) MAPTHPGDARKCNH2BRD4
SCHEMBL2265371 0.83 MAPT (0.65) MAPTHPGDARKCNH2BRD4
SCHEMBL749360 0.83 BRD4 (0.59) MAPTHPGDARKCNH2BRD4
SCHEMBL748466 0.83 BRD4 (0.75) ARKCNH2BRD4HTTTDP1
Potassium Ion SCHEMBL751004 0.83 MAPT (0.61) MAPTHPGDARKCNH2BRD4
SCHEMBL748457 0.82 AR (0.60) MAPTHPGDARKCNH2BRD4
Hydrochloric Acid SCHEMBL748572 0.82 BRD4 (0.74) ARKCNH2BRD4HTTTDP1

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 MAPT 2874/4885HPGD 672/4885AR 1/4885

“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.