Sugi Predict

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SCHEMBL748087

SCHEMBL748087

CC(C)(C)OC(=O)N1CCN(CCOc2ccc(C3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 16/20 0.83
▸ AR P10275 4/20 0.83
▸ KCNH2 Q12809 2/20 0.83
▸ 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
▸ GPR4 P46093 1/20 0.42

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
SCHEMBL3067912 0.96 BRD4 (0.77) BRD4ARKCNH2CCL2TAF1
SCHEMBL746988 0.91 BRD4 (1.00) BRD4ARKCNH2CCL2TAF1
SCHEMBL749938 0.89 BRD4 (0.77) BRD4ARKCNH2CCL2TAF1
SCHEMBL3073024 0.89 AR (0.65) BRD4ARKCNH2GPR4
SCHEMBL747361 0.88 BRD4 (0.84) BRD4ARKCNH2CCL2TAF1
SCHEMBL3474962 0.88 BRD4 (0.83) BRD4ARKCNH2CCL2TAF1
SCHEMBL749980 0.88 BRD4 (0.83) BRD4ARKCNH2CCL2TAF1
SCHEMBL748540 0.88 BRD4 (0.94) BRD4ARKCNH2CCL2TAF1
SCHEMBL745681 0.88 BRD4 (0.83) BRD4ARKCNH2CCL2TAF1
SCHEMBL3472504 0.88 BRD4 (0.83) 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 9 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
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

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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 BRD4 635/4885AR 1/4885KCNH2 1951/4885
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

“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.