SCHEMBL19322385

SCHEMBL19322385

Clc1ccc(-c2nc(NCCNc3ccccn3)ncc2-c2ncc[nH]2)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.70
CDK1 P06493 3/20 0.65
GSK3A P49840 3/20 0.65
CCNB2 O95067 2/20 0.65
CCNB1 P14635 2/20 0.65
CCNB3 Q8WWL7 2/20 0.65
RPS6KB1 P23443 1/20 0.56
CDK2 P24941 1/20 0.56
LIMK1 P53667 1/20 0.56
TAOK1 Q7L7X3 1/20 0.56
SLK Q9H2G2 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
CSNK1G1 Q9HCP0 1/20 0.56
ADORA1 P30542 3/20 0.39
POLB P06746 1/20 0.37
ROS1 P08922 1/20 0.37
GAA P10253 1/20 0.36
MAPK14 Q16539 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 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
SCHEMBL27592597 0.88 GSK3B (0.55) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL23180940 0.87 GSK3B (0.57) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL22734124 0.87 GSK3B (0.73) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7250188 0.86 GSK3B (0.68) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4393974 0.84 GSK3B (0.75) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4395874 0.84 GSK3B (0.70) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL27592588 0.83 GSK3B (0.49) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4391839 0.83 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL29357223 0.83 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5100756 0.83 GSK3B (0.68) GSK3BCDK1GSK3ACCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093635-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING 2-PYRIMIDINYLAMINOETHYLAMINO-2-PYRIDYL BASED COMPOUNDS Frequency Therapeutics, Inc. (US) 2021-04-01 US disclosed
US-20170252339-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING 2-PYRIMIDINYLAMINOETHYLAMINO-2-PYRIDYL BASED COMPOUNDS Frequency Therapeutics, Inc. 2017-09-07 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 (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-20210093635-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING 2-PYRIMIDINYLAMINOETHYLAMINO-2-PYRIDYL BASED COMPOUNDS MKI67, KIT, NES GSK3B 2316/4885CDK1 198/4885GSK3A 2749/4885
US-20170252339-A1 METHODS FOR CONTROLLED PROLIFERATION OF STEM CELLS / GENERATING INNER EAR HAIR CELLS USING 2-PYRIMIDINYLAMINOETHYLAMINO-2-PYRIDYL BASED COMPOUNDS MKI67, KIT, NES GSK3B 2316/4885CDK1 198/4885GSK3A 2749/4885

“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.