SCHEMBL2643216

SCHEMBL2643216

COc1ccc(CN2C(=O)C(C)=C(C)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.70
GSK3A P49840 2/20 0.66
GSK3B P49841 2/20 0.66
CASP3 P42574 2/20 0.62
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
ALOX15 P16050 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
APAF1 O14727 1/20 0.52
GAA P10253 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CHRM5 P08912 1/20 0.52
HTT P42858 1/20 0.51
BLM P54132 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8331785 0.85 CMA1 (0.70) CMA1GSK3AGSK3BCASP3KDM4E
SCHEMBL28169936 0.85 CMA1 (0.55) CMA1GSK3AGSK3BCASP3KDM4E
SCHEMBL45154 0.82 CASP3 (0.88) CMA1CASP3KDM4EMEN1KMT2A
SCHEMBL30296449 0.82 CASP3 (0.88) CMA1CASP3KDM4EMEN1KMT2A
SCHEMBL15773124 0.82 KDM4E (0.75) CMA1GSK3AGSK3BCASP3KDM4E
SCHEMBL23345451 0.81 CMA1 (0.55) CMA1GSK3AGSK3BCASP3KDM4E
SCHEMBL5449610 0.81 CMA1 (0.64) CMA1GSK3AGSK3BCASP3KDM4E
SCHEMBL12704514 0.80 TP53 (0.53) CASP3ALDH1A1MAPTKMT2AGAA
SCHEMBL28169935 0.80 GSK3A (0.55) CMA1GSK3AGSK3BALDH1A1
SCHEMBL2643077 0.80 GSK3A (0.63) CMA1GSK3AGSK3BCASP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity STEMLINE THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
WO-2021194954-A1 SUBSTITUTED AZOLE DIONE COMPOUNDS WITH ANTIVIRAL ACTIVITY STEMLINE THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
EP-3567035-A1 N-SUBSTITUTED 2,5-DIOXO-AZOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2019-11-13 EP disclosed
EP-3088397-B1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER CANBAS CO LTD (JP) 2019-04-10 EP disclosed
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-8415357-B2 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2013-04-09 US disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2011-04-21 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 US disclosed
EP-1951707-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007053657-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US 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-20110092514-A1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CDKN1A, CDC25C, DDB1 CMA1 2901/4885GSK3A 1039/4885GSK3B 901/4885
US-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 CMA1 2901/4885GSK3A 1039/4885GSK3B 901/4885
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK CMA1 4071/4885GSK3A 1082/4885GSK3B 1022/4885
US-20230158005-A1 Substituted Azole Dione Compounds with Antiviral Activity MAVS, DDX18, ZC3HAV1 CMA1 2113/4885GSK3A 2735/4885GSK3B 2714/4885

“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.