Sugi Predict

Sugi Predict / Compounds / SCHEMBL747346

SCHEMBL747346

SCHEMBL747346

CN1CCN(CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1=O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.76
▸ BRD4 O60885 9/20 0.73
▸ KCNH2 Q12809 6/20 0.59
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ CCL2 P13500 1/20 0.39
▸ TAF1 P21675 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39
▸ TAF1L Q8IZX4 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39

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
SCHEMBL746806 0.92 AR (0.73) ARBRD4KCNH2HTTTDP1
SCHEMBL745725 0.91 AR (0.72) ARBRD4KCNH2HTTTDP1
SCHEMBL751235 0.89 BRD4 (0.66) ARBRD4KCNH2HTTTDP1
SCHEMBL749870 0.89 BRD4 (0.66) ARBRD4KCNH2HTTTDP1
SCHEMBL751077 0.89 AR (0.61) ARBRD4KCNH2HTTTDP1
SCHEMBL750060 0.87 BRD4 (0.79) ARBRD4KCNH2HTTTDP1
SCHEMBL752809 0.87 AR (1.00) ARBRD4KCNH2HTTTDP1
SCHEMBL749815 0.85 BRD4 (0.61) ARBRD4KCNH2HTTTDP1
SCHEMBL747417 0.84 BRD4 (1.00) ARBRD4KCNH2CCL2TAF1
SCHEMBL747839 0.83 AR (0.78) ARBRD4KCNH2HTTTDP1

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
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
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
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
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-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 — — US disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 — — US 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 (1 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

“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.