SCHEMBL748457

SCHEMBL748457

CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.60
BRD4 O60885 4/20 0.60
KCNH2 Q12809 4/20 0.60
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
TLR9 Q9NR96 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
ALOX15 P16050 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
EPHX2 P34913 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
XBP1 P17861 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL3073024 0.96 AR (0.65) ARBRD4KCNH2MAPTHPGD
SCHEMBL748875 0.90 AR (0.73) ARBRD4KCNH2MAPTHPGD
SCHEMBL3067912 0.89 BRD4 (0.77) ARBRD4KCNH2
SCHEMBL751236 0.86 BRD4 (0.61) ARBRD4KCNH2MAPTHPGD
SCHEMBL748087 0.85 BRD4 (0.83) ARBRD4KCNH2
SCHEMBL2268416 0.84 HTT (0.59) ARBRD4KCNH2MAPTHPGD
SCHEMBL750902 0.82 MAPT (0.57) ARBRD4KCNH2MAPTHPGD
SCHEMBL2266249 0.81 HTT (0.61) ARBRD4KCNH2MAPTHPGD
SCHEMBL748521 0.80 MAPT (0.64) ARBRD4KCNH2MAPTHPGD
SCHEMBL747159 0.79 BRD4 (0.92) ARBRD4KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 US disclosed
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
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 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-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO 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 (3 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
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885BRD4 622/4885KCNH2 2070/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885BRD4 628/4885KCNH2 1878/4885

“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.