SCHEMBL748809

SCHEMBL748809

Cc1cc(O)ccc1C1(O)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.62
KCNH2 Q12809 5/20 0.62
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
XBP1 P17861 1/20 0.55
HTT P42858 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALOX15 P16050 1/20 0.52
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHEK1 O14757 1/20 0.42
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BRD4 O60885 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
SCHEMBL746933 0.89 AR (0.66) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL13030809 0.84 AR (0.65) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL750995 0.83 AR (0.83) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL13030807 0.80 AR (0.82) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL2266420 0.78 AR (0.66) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL2266966 0.78 AR (0.62) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL12368160 0.78 AR (0.81) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL748701 0.77 AR (0.80) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL747909 0.77 AR (0.76) ARKCNH2MAPTALDH1A1XBP1
SCHEMBL2264471 0.77 AR (1.00) ARKCNH2MAPTALDH1A1XBP1

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 AR 1/4885KCNH2 1951/4885MAPT 2874/4885

“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.