SCHEMBL20434860

SCHEMBL20434860

[N-]=[N+]=NCC(=O)c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.46
GSK3A P49840 7/20 0.44
CDK5 Q00535 2/20 0.44
PRKCB P05771 3/20 0.43
CDK4 P11802 3/20 0.43
CDK2 P24941 2/20 0.43
PDK1 Q15118 2/20 0.43
PDPK1 O15530 1/20 0.43
PRKCG P05129 1/20 0.43
LCK P06239 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
MARK3 P27448 1/20 0.43
CLK2 P49760 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKAA1 Q13131 1/20 0.43
STK3 Q13188 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43

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
SCHEMBL20434866 0.84 GSK3B (0.49) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL20434861 0.84 GSK3B (0.49) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL22510677 0.82 GSK3B (0.52) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL20434867 0.80 GSK3B (0.53) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL20434862 0.77 GSK3B (0.46) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL20434871 0.77 GSK3B (0.50) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL20434868 0.77 GSK3B (0.48) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL22510651 0.70 GSK3B (0.46) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL20434865 0.69 GSK3B (0.58) GSK3BGSK3ACDK5PRKCBCDK4
SCHEMBL20434863 0.68 GSK3B (0.49) GSK3BGSK3ACDK5PRKCBCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same Frequency Therapeutics, Inc. (US) 2019-08-20 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 US disclosed
US-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2018-08-02 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-20180214458-A1 1,5-DIHYDRO-2H-PYRROL-2-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MKI67, MCL1 GSK3B 3480/4885GSK3A 3788/4885CDK5 37/4885
US-10383881-B2 1,5-dihydro-2H-pyrrol-2-one compounds and methods of using same DCX, MKI67, MCL1 GSK3B 3480/4885GSK3A 3788/4885CDK5 37/4885

“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.