SCHEMBL4344077

SCHEMBL4344077

CN1CCCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCOCCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 1.00
PRKCB P05771 16/20 1.00
PRKCG P05129 16/20 1.00
PRKCA P17252 15/20 1.00
PRKCE Q02156 6/20 0.89
PRKCD Q05655 6/20 0.85
CDK1 P06493 3/20 0.80
CDK2 P24941 2/20 0.80
PRKCQ Q04759 2/20 0.80
CCNB2 O95067 1/20 0.69
PDGFRB P09619 1/20 0.69
CCNB1 P14635 1/20 0.69
PDGFRA P16234 1/20 0.69
PRKACA P17612 1/20 0.69
PRKACG P22612 1/20 0.69
PRKACB P22694 1/20 0.69
KDR P35968 1/20 0.69
CAMK2B Q13554 1/20 0.69
CAMK2G Q13555 1/20 0.69
CAMK2D Q13557 1/20 0.69

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
SCHEMBL4344559 0.94 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL4336077 0.92 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL14522451 0.91 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL25778145 0.90 GSK3B (0.90) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL4342534 0.89 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAPRKCE
Indolylylmaleimide 2 SCHEMBL4341971 0.89 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL4345338 0.89 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL6417102 0.89 GSK3B (1.00) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL22765525 0.88 GSK3B (0.97) GSK3BPRKCBPRKCGPRKCAPRKCE
SCHEMBL14522441 0.84 GSK3B (0.85) GSK3BPRKCBPRKCGPRKCAPRKCE

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
US-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. (US) 2018-05-10 US disclosed
EP-2664669-B1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH INC (US) 2017-12-27 EP disclosed
US-8623648-B2 Treatment of pluripotent cells JANSSEN BIOTECH, INC. (US) 2014-01-07 US disclosed
EP-2664669-A1 Treatment of pluripotent cells Janssen Biotech, Inc. (US) 2013-11-20 EP disclosed
US-20090325293-A1 TREATMENT OF PLURIPOTENT CELLS JANSSEN BIOTECH, INC. 2009-12-31 US disclosed
EP-1345946-B1 MACROHETEROCYLIC COMPOUNDS USEFUL AS KINASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2005-08-10 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 (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-20180127723-A1 TREATMENT OF PLURIPOTENT CELLS GSK3B, GSK3A, GSKIP GSK3B 1/4885PRKCB 61/4885PRKCG 104/4885

“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.