SCHEMBL20740447

SCHEMBL20740447

CC(C)N1C(=O)C(C)(C)Oc2cnc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
MARK3 P27448 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL20740486 0.85
SCHEMBL20740456 0.77 ELANE (0.44) MARK3
SCHEMBL20740502 0.76 RPS6KA5 (0.32)
SCHEMBL16691352 0.75 MARK3 (0.42) MARK3
SCHEMBL20740491 0.74 MARK3 (0.40) MARK3
SCHEMBL20740487 0.73 PTGS1 (0.34) LRRK2
SCHEMBL20740597 0.72 SMN1; SMN2 (0.40)
SCHEMBL20740605 0.72
SCHEMBL20740466 0.71 BRD4 (0.34)
SCHEMBL2028357 0.69 PLK2 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444254-B1 HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) 2020-05-13 EP disclosed
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2019-07-16 US disclosed
US-20190071453-A1 Heterocyclic-substituted Pyridinopyrimidinone Derivative as CDK Inhibitor and Use thereof CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) 2019-03-07 US disclosed
EP-3444254-A1 HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) 2019-02-20 EP 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-20190071453-A1 Heterocyclic-substituted Pyridinopyrimidinone Derivative as CDK Inhibitor and Use thereof CDK4, CDK6, CCNI SLC9A1 4833/4885MARK3 1349/4885LRRK2 1291/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI SLC9A1 4833/4885MARK3 1349/4885LRRK2 1291/4885

“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.