SCHEMBL21577581

SCHEMBL21577581

CC(C)(C)OC(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cc(C#CS(C)(C)C)cc(c32)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.63
PRKCB P05771 6/20 0.63
CDK4 P11802 6/20 0.63
CDK2 P24941 5/20 0.63
PDK1 Q15118 3/20 0.63
TGFBR2 P37173 3/20 0.62
GSK3A P49840 14/20 0.61
CAMK2G Q13555 3/20 0.60
CAMK2D Q13557 3/20 0.60
CAMK2B Q13554 2/20 0.60
PRKCG P05129 2/20 0.60
LCK P06239 2/20 0.60
CDK1 P06493 2/20 0.60
PIM1 P11309 2/20 0.60
CLK2 P49760 2/20 0.60
RPS6KA3 P51812 2/20 0.60
CDK5 Q00535 2/20 0.60
PRKCD Q05655 2/20 0.60
DYRK1A Q13627 2/20 0.60
PKN2 Q16513 2/20 0.60

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
SCHEMBL21577709 0.92 GSK3B (0.63) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL20439158 0.87 GSK3B (0.78) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL21577590 0.86 GSK3B (0.66) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL21577592 0.81 GSK3B (0.79) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL21577660 0.79 GSK3B (0.80) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL21577659 0.79 GSK3B (0.80) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL29534407 0.79 GSK3B (0.80) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL21577596 0.78 GSK3B (0.71) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL21577573 0.78 GSK3B (0.71) GSK3BPRKCBCDK4CDK2PDK1
SCHEMBL29534131 0.77 GSK3B (0.66) GSK3BPRKCBCDK4CDK2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2019-11-21 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 (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-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 GSK3B 3641/4885PRKCB 1923/4885CDK4 245/4885

“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.