SCHEMBL5328006

SCHEMBL5328006

Cc1ccc(-n2c(=O)[nH][nH]c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.60
GSK3B P49841 2/20 0.60
GAA P10253 1/20 0.60
F2 P00734 1/20 0.50
ELANE P08246 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50
CTRC Q99895 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
MGLL Q99685 1/20 0.46
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL10437115 0.82 ALDH1A1 (0.50) GSK3AGSK3BF2ELANECTSG
SCHEMBL12613234 0.77 GSK3A (0.57) GSK3AGSK3BGAAF2ELANE
SCHEMBL11734241 0.77 GSK3A (0.57) GSK3AGSK3BGAAF2ELANE
SCHEMBL3021600 0.76 GSK3A (0.60) GSK3AGSK3BGAAKDM4EMGLL
SCHEMBL11882558 0.76 GAA (0.60) GSK3AGSK3BGAAALDH1A1KDM4E
SCHEMBL3022499 0.76 GSK3A (0.60) GSK3AGSK3BGAAELANEALDH1A1
SCHEMBL11876869 0.76 GAA (0.60) GSK3AGSK3BGAAALDH1A1KDM4E
SCHEMBL11363821 0.76 GSK3A (0.60) GSK3AGSK3BGAAMGLLSMN1; SMN2
SCHEMBL9472940 0.76 ATM (0.57) GSK3AGSK3BGAAELANEALDH1A1
SCHEMBL29191759 0.76 GAA (0.54) GSK3AGSK3BGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4249552-A None JP disclosed
WO-2023060858-A1 MONOCHROMATIC FLUORESCENCE MRT GENE SEQUENCING REAGENT AND METHOD BASED ON ENVIRONMENT-SENSITIVE DYE 深圳铭毅智造科技有限公司 2023-04-20 WO disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed
JP-H04249552-A RUBBER COMPOSITION FOR TIRE SUMITOMO CHEM CO LTD 1992-09-04 JP disclosed
EP-0033503-A2 Medicaments with cytostatic activity and use of cyclic compounds, in which the heterocyclic N-ring atoms are substituted by several glycidyl groups, in pharmaceutical compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1981-08-12 EP 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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GSK3A 3644/4885GSK3B 3547/4885GAA 410/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH GSK3A 3644/4885GSK3B 3547/4885GAA 410/4885

“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.