SCHEMBL748466

SCHEMBL748466

FC(F)(F)c1nnc2ccc(N3CCC(c4ccc(OCCN5CCNCC5)cc4)CC3)nn12

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.75
AR P10275 5/20 0.75
KCNH2 Q12809 3/20 0.75
CCL2 P13500 1/20 0.49
TAF1 P21675 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
TAF1L Q8IZX4 1/20 0.49
CREBBP Q92793 1/20 0.49
BRD9 Q9H8M2 1/20 0.49
HTT P42858 1/20 0.47
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL748572 0.99 BRD4 (0.74) BRD4ARKCNH2CCL2TAF1
SCHEMBL2266295 0.96 BRD4 (0.69) BRD4ARKCNH2CCL2TAF1
SCHEMBL3473630 0.90 BRD4 (0.81) BRD4ARKCNH2CCL2TAF1
SCHEMBL746856 0.87 BRD4 (0.76) BRD4ARKCNH2CCL2TAF1
SCHEMBL3067439 0.86 AR (0.70) BRD4ARKCNH2CCL2TAF1
SCHEMBL3476264 0.86 BRD4 (0.75) BRD4ARKCNH2CCL2TAF1
SCHEMBL746988 0.86 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL2263312 0.86 BRD4 (0.77) BRD4ARKCNH2CCL2TAF1
SCHEMBL746953 0.86 BRD4 (0.70) BRD4ARKCNH2CCL2TAF1
SCHEMBL749450 0.85 AR (0.71) BRD4ARKCNH2CCL2TAF1

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 7 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 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
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP 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 (2 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 635/4885AR 1/4885KCNH2 1951/4885
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.