SCHEMBL1114183

SCHEMBL1114183

Cn1c(C=O)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 5/20 0.39
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NT5E P21589 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A3 P47895 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL25735607 0.88 HDAC1 (0.44) HDAC1CYP3A4SMN1; SMN2PIK3CAPOLB
SCHEMBL30440619 0.88 HDAC1 (0.44) HDAC1CYP3A4SMN1; SMN2PIK3CAPOLB
SCHEMBL18114722 0.84 HDAC1 (0.39) HDAC1CYP3A4SMN1; SMN2PIK3CAPOLB
SCHEMBL28595917 0.83 HDAC1 (0.54) HDAC1CYP3A4SMN1; SMN2PIK3CAHRH3
SCHEMBL2673761 0.83 HDAC1 (0.52) HDAC1CYP3A4SMN1; SMN2PIK3CAPIK3CD
SCHEMBL8170822 0.83 CYP3A4 (0.51) HDAC1CYP3A4SMN1; SMN2PIK3CAPOLB
SCHEMBL2396757 0.83 CYP3A4 (0.46) HDAC1CYP3A4SMN1; SMN2NT5EALDH1A1
SCHEMBL358496 0.82 HDAC1 (0.48) HDAC1CYP3A4SMN1; SMN2PIK3CAPOLB
SCHEMBL30254601 0.82 HDAC1 (0.48) HDAC1CYP3A4SMN1; SMN2PIK3CAPOLB
SCHEMBL2674207 0.82 HDAC1 (0.45) HDAC1CYP3A4SMN1; SMN2PIK3CAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920199-B Piperazinone substituent or derivative thereof, preparation method and application thereof, and pharmaceutical composition 四川大学 2023-02-03 CN claimed
CN-112920199-A Piperazinone substituent or derivative thereof, and preparation method, application and pharmaceutical composition thereof 四川大学 2021-06-08 CN claimed
CN-118084941-A Pyridone substituent or derivative thereof, preparation method, application and pharmaceutical composition thereof 重庆文理学院 2024-05-28 CN disclosed
CN-112920199-B Piperazinone substituent or derivative thereof, preparation method and application thereof, and pharmaceutical composition 四川大学 2023-02-03 CN disclosed
CN-112920199-A Piperazinone substituent or derivative thereof, and preparation method, application and pharmaceutical composition thereof 四川大学 2021-06-08 CN disclosed
EP-3277682-B1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO CO LTD (JP) 2019-04-24 EP disclosed
EP-3277682-B1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO CO LTD (JP) 2019-04-24 EP disclosed
US-10174035-B2 6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-01-08 US disclosed
US-10174035-B2 6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-01-08 US disclosed
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-15 US disclosed
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-15 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
WO-2010136491-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2010-12-02 WO disclosed
WO-2010136491-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2010-12-02 WO disclosed
US-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE HOFFMAN-LA ROCHE INC. 2010-12-02 US disclosed
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 EP disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 WO disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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 (4 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-20100305084-A1 BICYCLIC INDOLE-PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PI4K2B, PIK3CA, PIK3R2 HDAC1 2098/4885CYP3A4 1910/4885SMN1; SMN2 3259/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG HDAC1 3176/4885CYP3A4 1690/4885SMN1; SMN2 2126/4885
US-10174035-B2 6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors PIK3CA, AKT3, AKT2 HDAC1 981/4885CYP3A4 1608/4885SMN1; SMN2 1965/4885
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 HDAC1 981/4885CYP3A4 1608/4885SMN1; SMN2 1965/4885

“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.