Sugi Predict

Sugi Predict / Compounds / SCHEMBL3075117

SCHEMBL3075117

SCHEMBL3075117

O=C(O)COc1ccc(C2CCN(C3=Nn4c(nnc4C(F)(F)F)CC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.70
▸ KCNH2 Q12809 3/20 0.46
▸ BRD4 O60885 4/20 0.41
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL24592187 0.92 AR (0.69) ARKCNH2BRD4S1PR1DGAT1
SCHEMBL3066026 0.92 AR (0.73) ARKCNH2BRD4RAB9AMEN1
SCHEMBL29767437 0.89 AR (0.68) ARKCNH2BRD4RAB9AMEN1
SCHEMBL3068006 0.89 AR (0.68) ARKCNH2BRD4RAB9AMEN1
SCHEMBL3077197 0.89 AR (0.67) ARKCNH2BRD4POLBGAA
SCHEMBL29767421 0.87 AR (0.65) ARKCNH2BRD4RAB9AMEN1
SCHEMBL3068954 0.87 AR (0.72) ARKCNH2BRD4S1PR1CYP3A4
SCHEMBL24592182 0.86 AR (0.66) ARKCNH2BRD4HRH3
SCHEMBL3061983 0.86 AR (0.64) ARKCNH2BRD4RAB9AMEN1
SCHEMBL24592309 0.85 AR (0.64) ARKCNH2BRD4CYP2C9CYP2C19

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
CN-114685601-B Androgen receptor binding molecules and uses thereof 财团法人工业技术研究院 2024-10-18 — — CN disclosed
EP-4023649-A1 ANDROGEN RECEPTOR BINDING BIFUNCTIONAL MOLECULES Industrial Technology Research Institute (TW) 2022-07-06 — — EP disclosed
CN-114685601-A Androgen receptor binding molecules and uses thereof 财团法人工业技术研究院 2022-07-01 — — CN disclosed
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-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 (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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 2070/4885BRD4 622/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885BRD4 628/4885

“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.