SCHEMBL20740437

SCHEMBL20740437

O=C1N(C2CCCC2)c2nc(Cl)ncc2OC12CCC2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.35
CDK2 P24941 11/20 0.35
MARK3 P27448 3/20 0.35
MARK4 Q96L34 2/20 0.34
CDK1 P06493 1/20 0.33
RPS6KA6 Q9UK32 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
SCHEMBL20740467 0.96 MARK3 (0.35) CCNE1CDK2MARK3MARK4CDK1
SCHEMBL20740490 0.84 MARK3 (0.35) CCNE1CDK2MARK3MARK4CDK1
SCHEMBL20740491 0.84 MARK3 (0.40) CCNE1CDK2MARK3MARK4CDK1
SCHEMBL22347964 0.74 CDK2 (0.55) CCNE1CDK2MARK3MARK4CDK1
SCHEMBL27196797 0.74 PIK3CD (0.38) MARK3MARK4RPS6KA6
SCHEMBL20740503 0.72 ALDH1A1 (0.33) MARK3MARK4RPS6KA6
SCHEMBL19474318 0.71 CDK4 (0.56) CDK2CDK1
SCHEMBL20740476 0.71 ALDH1A1 (0.33) MARK3MARK4RPS6KA6
SCHEMBL20768350 0.70 RPS6KA6 (0.32) RPS6KA6
SCHEMBL20740438 0.70 RPS6KA6 (0.32) MARK3RPS6KA6

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 CCNE1 40/4885CDK2 4/4885MARK3 1349/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI CCNE1 40/4885CDK2 4/4885MARK3 1349/4885

“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.