SCHEMBL2193764

SCHEMBL2193764

CC(C)(O)C(C)(C)OB(O)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.39
▸ PGR P06401 1/20 0.37
▸ AR P10275 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ MAPK9 P45984 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CALM1 P0DP23 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ATM Q13315 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
SCHEMBL15312388 0.77 CTNNB1 (0.36) —
Boric Acid SCHEMBL29234413 0.75 ALDH1A1 (0.43) CYP3A4PGRARGABRA1MAOA
SCHEMBL28751379 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1MAPK1MEN1KMT2A
SCHEMBL19433226 0.72 CA2 (0.42) —
SCHEMBL15156934 0.72 TP53 (0.31) CYP3A4SMN1; SMN2
SCHEMBL27934725 0.72 ALDH1A1 (0.46) CYP3A4PGRARGABRA1MAOA
SCHEMBL15525340 0.72 RIPK1 (0.31) —
SCHEMBL30231 0.71 CYP3A4 (0.54) CYP3A4ALDH1A1MAPK1MEN1KMT2A
SCHEMBL29956957 0.71 CYP3A4 (0.54) CYP3A4ALDH1A1MAPK1MEN1KMT2A
SCHEMBL5710118 0.71 CYP3A4 (0.54) CYP3A4ALDH1A1MAPK1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078463-A1 AZOBENZENE COMPOUND AND APPLICATION THEREOF 正大天晴药业集团股份有限公司 2023-05-11 — — WO disclosed
US-8987280-B2 Pyrazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-03-24 — — US disclosed
EP-2252616-B1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-07-23 — — EP disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 — — US disclosed
EP-2252616-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-11-24 — — EP disclosed
WO-2009097446-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-08-06 — — 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 (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-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA CYP3A4 541/4885PGR 1319/4885AR 3117/4885

“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.

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