SCHEMBL2271027

SCHEMBL2271027

COC(=O)COc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.69
AR P10275 3/20 0.69
KCNH2 Q12809 2/20 0.69
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CCL2 P13500 1/20 0.48
TAF1 P21675 1/20 0.48
BRD2 P25440 1/20 0.48
BRD3 Q15059 1/20 0.48
BRDT Q58F21 1/20 0.48
TAF1L Q8IZX4 1/20 0.48
CREBBP Q92793 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
ALOX15 P16050 1/20 0.47

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
SCHEMBL3079586 0.91 BRD4 (0.70) BRD4ARKCNH2HTTTDP1
SCHEMBL2264831 0.90 BRD4 (0.69) BRD4ARKCNH2HTTTDP1
SCHEMBL2266402 0.85 BRD4 (0.64) BRD4ARKCNH2HTTTDP1
SCHEMBL24592256 0.84 BRD4 (0.69) BRD4ARKCNH2HTTTDP1
SCHEMBL749053 0.84 BRD4 (0.71) BRD4ARKCNH2HTTTDP1
SCHEMBL2264747 0.84 BRD4 (0.61) BRD4ARKCNH2HTTTDP1
SCHEMBL24592188 0.84 BRD4 (0.67) BRD4ARKCNH2HTTTDP1
SCHEMBL3074460 0.84 BRD4 (0.71) BRD4ARKCNH2HTTTDP1
SCHEMBL747249 0.83 BRD4 (0.70) BRD4ARKCNH2HTTTDP1
SCHEMBL2264722 0.83 AR (0.69) BRD4ARKCNH2HTTTDP1

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 10 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-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-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 (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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA BRD4 622/4885AR 1/4885KCNH2 2070/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA BRD4 628/4885AR 1/4885KCNH2 1878/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 BRD4 831/4885AR 1/4885KCNH2 4406/4885

“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.