SCHEMBL749755

SCHEMBL749755

CN1CCN(CCOc2ccc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)C(=O)C1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.79
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
AR P10275 7/20 0.52
KCNH2 Q12809 5/20 0.52
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
XBP1 P17861 1/20 0.46
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL750698 0.88 BRD4 (1.00) BRD4ARKCNH2HTTTDP1
SCHEMBL751236 0.87 BRD4 (0.61) BRD4MAPTHPGDARKCNH2
SCHEMBL749360 0.85 BRD4 (0.59) BRD4MAPTHPGDARKCNH2
SCHEMBL750060 0.84 BRD4 (0.79) BRD4MAPTHPGDARKCNH2
SCHEMBL748349 0.81 BRD4 (0.69) BRD4MAPTHPGDARKCNH2
SCHEMBL752905 0.80 MAPT (0.65) BRD4MAPTHPGDARKCNH2
SCHEMBL2265371 0.80 MAPT (0.65) BRD4MAPTHPGDARKCNH2
SCHEMBL748521 0.80 MAPT (0.64) BRD4MAPTHPGDARKCNH2
SCHEMBL748870 0.79 MAPT (0.58) BRD4MAPTHPGDARKCNH2
SCHEMBL748501 0.79 MAPT (0.57) BRD4MAPTHPGDARKCNH2

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 8 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
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO 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
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
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US 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 635/4885MAPT 2874/4885HPGD 672/4885

“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.