SCHEMBL750995

SCHEMBL750995

Oc1ccc(C2(O)CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.83
KCNH2 Q12809 6/20 0.83
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALOX15 P16050 1/20 0.58
MAPT P10636 3/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 3/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
XBP1 P17861 1/20 0.53
CYP1A2 P05177 2/20 0.44
DPP4 P27487 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CHEK1 O14757 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL2264471 0.91 AR (1.00) ARKCNH2HTTTDP1ALOX15
SCHEMBL13030807 0.90 AR (0.82) ARKCNH2HTTTDP1ALOX15
SCHEMBL12368160 0.90 AR (0.81) ARKCNH2HTTTDP1ALOX15
SCHEMBL747909 0.86 AR (0.76) ARKCNH2HTTTDP1ALOX15
SCHEMBL746933 0.84 AR (0.66) ARKCNH2HTTTDP1ALOX15
SCHEMBL2266464 0.84 AR (0.72) ARKCNH2HTTTDP1ALOX15
SCHEMBL748809 0.83 AR (0.62) ARKCNH2HTTTDP1ALOX15
SCHEMBL2271332 0.83 AR (0.77) ARKCNH2HTTTDP1ALOX15
SCHEMBL2264313 0.83 AR (1.00) ARKCNH2HTTTDP1ALOX15
SCHEMBL748468 0.82 MAPT (0.77) ARKCNH2HTTTDP1ALOX15

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 13 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
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
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP 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
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 1951/4885HTT 4358/4885
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 2070/4885HTT 3881/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885HTT 3790/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 AR 1/4885KCNH2 4406/4885HTT 3680/4885

“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.