SCHEMBL20959635

SCHEMBL20959635

CO[C@H]1CC[C@@](CNC(=O)O)(n2c(C=O)cc3cnc(Cl)nc32)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.32
DYRK1A Q13627 3/20 0.32
WNT1 P04628 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CDK2 P24941 2/20 0.32
APP P05067 3/20 0.31
BACE1 P56817 3/20 0.31
P2RX7 Q99572 1/20 0.31
CCNA2 P20248 1/20 0.30
TTK P33981 1/20 0.30

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
SCHEMBL20913365 1.00 GSK3B (0.32) GSK3BDYRK1AWNT1IRAK4CDK2
SCHEMBL20927009 0.89 STK17B (0.36) GSK3BDYRK1AIRAK4CDK2BACE1
SCHEMBL20927013 0.89 STK17B (0.36) GSK3BDYRK1AIRAK4CDK2BACE1
SCHEMBL20913362 0.86 TP53 (0.33) CDK2P2RX7CCNA2
SCHEMBL20959598 0.83 WNT1 (0.34) GSK3BDYRK1AWNT1IRAK4APP
SCHEMBL20959593 0.83 WNT1 (0.34) GSK3BDYRK1AWNT1IRAK4APP
SCHEMBL16076738 0.76 STK17B (0.39) GSK3BDYRK1AP2RX7TTK
SCHEMBL30926288 0.76 STK17B (0.39) GSK3BDYRK1AP2RX7TTK
SCHEMBL20926953 0.75 STK17B (0.38) GSK3BDYRK1ATTK
SCHEMBL20913345 0.72 TP53 (0.35) CDK2P2RX7CCNA2

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
EP-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD GSK3B 2324/4885DYRK1A 1245/4885WNT1 523/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA GSK3B 1634/4885DYRK1A 1586/4885WNT1 251/4885

“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.