SCHEMBL573575

SCHEMBL573575

CC(C)(C)OC(=O)N[C]1CCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
BTK Q06187 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.37
EPHX1 P07099 1/20 0.36
CYP17A1 P05093 1/20 0.36
ATR Q13535 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1829582 0.96 CYP17A1 (0.39) NFKB1NFKB2RELACA1CA2
SCHEMBL4603098 0.94 GAA (0.39) NFKB1NFKB2RELACA1CA2
SCHEMBL1656241 0.91 NFKB1 (0.41) NFKB1NFKB2RELACA1CA2
SCHEMBL1551115 0.81 ALDH1A1 (0.40) NFKB1NFKB2RELACA1CA2
SCHEMBL28960308 0.81 BTK (0.38) NFKB1NFKB2RELABTKALDH1A1
SCHEMBL28976941 0.78 TSHR (0.35) NFKB1NFKB2RELACA1CA2
SCHEMBL28167286 0.75 GAA (0.38) NFKB1NFKB2RELACA1CA2
SCHEMBL18993119 0.73 GAA (0.47) NFKB1NFKB2RELACA1KMT2A
SCHEMBL28797276 0.73 NLRP3 (0.56) CA2ALDH1A1
SCHEMBL5656195 0.73 ATR (0.39) CA1CA2ALDH1A1KMT2AGAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372854-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2013-02-12 US claimed
EP-2513114-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2012-10-24 EP claimed
US-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-12-01 US claimed
WO-2011075334-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-06-23 WO claimed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
WO-2016206101-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
US-8372854-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2013-02-12 US disclosed
EP-2513114-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2012-10-24 EP disclosed
EP-2486044-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2012-08-15 EP disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 WO disclosed
WO-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
US-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-12-01 US disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 WO disclosed
CN-1312131-C Anti-acid-fast bacterial agents containing pyridonecarboxylic acids as the active ingredent DAIICHI SEIYAKU CO (JP) 2007-04-25 CN disclosed
CN-1173971-C Cycloalkyl-substituted aminomethylpyrrolidine derivatives ��һ��������ҩ��ʽ���� 2004-11-03 CN disclosed
CN-1426399-A Process for preparing quinolone carboxylic acids and intermediates thereof DAIICHI SEIYAKU CO (JP) 2003-06-25 CN disclosed
CN-1422256-A Anti-acid-fast bacterial agents containing pyridonecarboxylic acids as the active ingredent DAIICHI SEIYAKU CO (JP) 2003-06-04 CN disclosed
CN-1333765-A cycloalkyl-substituted aminomethyl pyrrolidine derivatives DAIICHI SEIYAKU CO (JP) 2002-01-30 CN 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-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, JAK2 NFKB1 1390/4885NFKB2 1277/4885RELA 2557/4885

“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.