SCHEMBL21577577

SCHEMBL21577577

CN1CC2CC1CN2C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cc(F)cc(c32)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.73
GSK3A P49840 14/20 0.73
PRKCB P05771 6/20 0.73
CDK4 P11802 6/20 0.73
CDK2 P24941 5/20 0.73
CAMK2G Q13555 3/20 0.73
CAMK2D Q13557 3/20 0.73
PDK1 Q15118 3/20 0.73
CDK5 Q00535 3/20 0.73
PRKCG P05129 2/20 0.73
LCK P06239 2/20 0.73
CDK1 P06493 2/20 0.73
PIM1 P11309 2/20 0.73
CLK2 P49760 2/20 0.73
RPS6KA3 P51812 2/20 0.73
PRKCD Q05655 2/20 0.73
DYRK1A Q13627 2/20 0.73
PKN2 Q16513 2/20 0.73
SLK Q9H2G2 2/20 0.73
CLK4 Q9HAZ1 2/20 0.73

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
SCHEMBL29534148 1.00 GSK3B (0.73) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21798758 1.00 GSK3B (0.73) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577596 0.92 GSK3B (0.71) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL20439171 0.91 GSK3B (0.60) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL20439167 0.91 GSK3B (0.60) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21954054 0.90 GSK3B (0.59) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL29533855 0.89 GSK3B (0.74) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577597 0.89 GSK3B (0.74) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL21577684 0.89 GSK3B (0.74) GSK3BGSK3APRKCBCDK4CDK2
SCHEMBL22510714 0.87 GSK3B (0.55) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220192984-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OTIC THERAPEUTIC AGENTS AND RELATED METHODS Frequency Therapeutics, Inc. 2022-06-23 US disclosed
US-20220175776-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS Frequency Therapeutics, Inc. (US) 2022-06-09 US disclosed
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 US disclosed
US-20220127568-A1 COMPOSITIONS AND METHODS FOR GENERATING HAIR CELLS BY INHIBITING EPIGENETIC TARGETS Frequency Therapeutics, Inc. (US) 2022-04-28 US disclosed
US-11162071-B2 Compositions and methods for generating hair cells by upregulating JAG-1 Frequency Therapeutics, Inc. (US) 2021-11-02 US disclosed
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
WO-2020037323-A1 COMPOSITIONS AND METHODS FOR GENERATING HAIR CELLS BY UPREGULATING JAG-1 Frequency Therapeutics, Inc. (US) 2020-02-20 WO 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 (9 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-20220127568-A1 COMPOSITIONS AND METHODS FOR GENERATING HAIR CELLS BY INHIBITING EPIGENETIC TARGETS WNT3A, WNT1, MECP2 GSK3B 92/4885GSK3A 152/4885PRKCB 373/4885
US-11162071-B2 Compositions and methods for generating hair cells by upregulating JAG-1 NOTCH1, HES1, NOTCH3 GSK3B 1102/4885GSK3A 1348/4885PRKCB 197/4885
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-20220175776-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS HES1, SHH, HDAC11 GSK3B 678/4885GSK3A 732/4885PRKCB 2425/4885
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 GSK3B 42/4885GSK3A 24/4885PRKCB 790/4885
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
US-20220192984-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING OTIC THERAPEUTIC AGENTS AND RELATED METHODS OTC, EXOSC5, ENTPD5 GSK3B 2670/4885GSK3A 2714/4885PRKCB 2369/4885

“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.