SCHEMBL20740438

SCHEMBL20740438

N#CC1Oc2cnc(Cl)nc2N(C2CCCC2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KA6 Q9UK32 1/20 0.32
MARK3 P27448 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20740503 0.81 ALDH1A1 (0.33) RPS6KA6MARK3ALDH1A1SMN1; SMN2
SCHEMBL20740476 0.80 ALDH1A1 (0.33) RPS6KA6MARK3ALDH1A1SMN1; SMN2
SCHEMBL20768350 0.79 RPS6KA6 (0.32) RPS6KA6
SCHEMBL20740484 0.78 RPS6KA6 (0.35) RPS6KA6ALDH1A1
SCHEMBL20740439 0.78 RPS6KA6 (0.33) RPS6KA6
SCHEMBL27196797 0.74 PIK3CD (0.38) RPS6KA6MARK3ALDH1A1SMN1; SMN2
SCHEMBL19474317 0.71 CDK4 (0.55)
SCHEMBL20740491 0.71 MARK3 (0.40) RPS6KA6MARK3SMN1; SMN2
SCHEMBL20740467 0.71 MARK3 (0.35) RPS6KA6MARK3
SCHEMBL20740490 0.71 MARK3 (0.35) RPS6KA6MARK3

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 RPS6KA6 182/4885MARK3 1349/4885ALDH1A1 1708/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI RPS6KA6 182/4885MARK3 1349/4885ALDH1A1 1708/4885

“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.