SCHEMBL21577597

SCHEMBL21577597

O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CC3CC1CN3)CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.74
GSK3A P49840 14/20 0.74
PRKCB P05771 6/20 0.74
CDK4 P11802 6/20 0.74
CDK2 P24941 5/20 0.74
CAMK2G Q13555 3/20 0.74
CAMK2D Q13557 3/20 0.74
CDK5 Q00535 3/20 0.74
PDK1 Q15118 3/20 0.74
PRKCG P05129 2/20 0.74
LCK P06239 2/20 0.74
CDK1 P06493 2/20 0.74
PIM1 P11309 2/20 0.74
CLK2 P49760 2/20 0.74
RPS6KA3 P51812 2/20 0.74
PRKCD Q05655 2/20 0.74
DYRK1A Q13627 2/20 0.74
PKN2 Q16513 2/20 0.74
SLK Q9H2G2 2/20 0.74
CLK4 Q9HAZ1 2/20 0.74

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
SCHEMBL29533855 1.00 GSK3B (0.74) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577684 1.00 GSK3B (0.74) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL20439061 0.90 GSK3B (0.60) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21941677 0.90 GSK3B (0.60) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL20439083 0.90 GSK3B (0.60) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577577 0.89 GSK3B (0.73) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL29534148 0.89 GSK3B (0.73) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21798758 0.89 GSK3B (0.73) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL29594502 0.89 GSK3B (0.57) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21955643 0.88 GSK3B (0.57) GSK3BGSK3APRKCBCDK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-23 US disclosed
US-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION Frequency Therapeutics, Inc. 2020-04-16 US disclosed
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 (5 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-20200113913-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, WNT3A, WNT1 GSK3B 141/4885GSK3A 142/4885PRKCB 560/4885
US-20210300948-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 3641/4885GSK3A 3793/4885PRKCB 1923/4885
US-20200121681-A1 METHODS FOR HAIR FOLLICLE STEM CELL PROLIFERATION SHH, GLI1, WNT1 GSK3B 152/4885GSK3A 147/4885PRKCB 563/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX GSK3B 3588/4885GSK3A 3783/4885PRKCB 2443/4885
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 3641/4885GSK3A 3793/4885PRKCB 1923/4885

“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.