SCHEMBL752809

SCHEMBL752809

CC(=O)N1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 1.00
KCNH2 Q12809 6/20 0.74
BRD4 O60885 6/20 0.74
DRD3 P35462 1/20 0.45
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL748701 0.89 AR (0.80) ARKCNH2BRD4DRD3HTT
SCHEMBL747468 0.89 AR (0.80) ARKCNH2BRD4DRD3HTT
SCHEMBL747839 0.88 AR (0.78) ARKCNH2BRD4DRD3HTT
SCHEMBL751645 0.88 AR (0.78) ARKCNH2BRD4DRD3HTT
SCHEMBL747346 0.87 AR (0.76) ARKCNH2BRD4HTTTDP1
SCHEMBL750213 0.86 AR (0.75) ARKCNH2BRD4DRD3HTT
SCHEMBL3473971 0.86 AR (0.75) ARKCNH2BRD4DRD3HTT
SCHEMBL748810 0.86 AR (0.75) ARKCNH2BRD4DRD3HTT
SCHEMBL3473287 0.86 AR (0.75) ARKCNH2BRD4DRD3HTT
SCHEMBL750071 0.85 AR (0.73) 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 19 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
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
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US 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
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 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 (4 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 1951/4885BRD4 635/4885
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 2070/4885BRD4 622/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885BRD4 628/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 AR 1/4885KCNH2 4406/4885BRD4 831/4885

“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.