SCHEMBL22650459

SCHEMBL22650459

Cc1nc(NC(=O)OC(C)(C)C)ccc1C(=O)N1CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
PARP1 P09874 4/20 0.36
POLB P06746 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SPR P35270 2/20 0.35
LCK P06239 2/20 0.34
CRBN Q96SW2 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
SCN9A Q15858 1/20 0.33
NAMPT P43490 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL22650451 0.84 PARP1 (0.44) PARP1GPR119NAMPT
SCHEMBL7406307 0.78 GABRP (0.45) GSK3BDYRK1ALCK
SCHEMBL19968019 0.75 HSP90AA1 (0.40) TRPV4SPR
SCHEMBL28085713 0.73 ALDH1A1 (0.48) POLB
SCHEMBL6469040 0.73 LCK (0.46) GSK3BDYRK1ALCKSCN9A
SCHEMBL21584977 0.72 LCK (0.42) GSK3BDYRK1ALCKSCN9A
SCHEMBL24819762 0.71 LCK (0.41) GSK3BDYRK1ALCKSCN9A
SCHEMBL7110406 0.71 LCK (0.48) GSK3BDYRK1ALCK
SCHEMBL6469038 0.71 LCK (0.41) GSK3BDYRK1ALCKSCN9A
SCHEMBL30050964 0.71 LCK (0.41) GSK3BDYRK1ALCKSCN9A

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-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 US disclosed
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 CN disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO 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-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 GSK3B 339/4885DYRK1A 691/4885PARP1 579/4885

“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.