SCHEMBL20740501

SCHEMBL20740501

CC1(C)Sc2cnc(Cl)nc2N(C2CCCC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 4/20 0.40
MARK4 Q96L34 3/20 0.39
CCNE1 P24864 10/20 0.37
CDK2 P24941 10/20 0.37
CDK1 P06493 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
RPS6KA6 Q9UK32 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20740491 0.75 MARK3 (0.40) MARK3MARK4CCNE1CDK2CDK1
SCHEMBL22347964 0.73 CDK2 (0.55) MARK3MARK4CCNE1CDK2CDK1
SCHEMBL20740490 0.70 MARK3 (0.35) MARK3MARK4CCNE1CDK2CDK1
SCHEMBL20740467 0.70 MARK3 (0.35) MARK3MARK4CCNE1CDK2CDK1
SCHEMBL19474450 0.70 CDK4 (0.53) MARK3MARK4CCNE1CDK2CDK1
SCHEMBL20740437 0.69 CCNE1 (0.35) MARK3MARK4CCNE1CDK2CDK1
SCHEMBL11976979 0.68 OPRM1 (0.38) MARK3CCNE1CDK2ABL1BCR
SCHEMBL28767333 0.68 MARK3 (0.50) MARK3MARK4CCNE1CDK2
SCHEMBL11976978 0.67 OPRM1 (0.40) MARK3MARK4CCNE1CDK2ALDH1A1
SCHEMBL25091178 0.67 MARK3 (0.40) MARK3MARK4CCNE1CDK2CDK1

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 MARK3 1349/4885MARK4 1313/4885CCNE1 40/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI MARK3 1349/4885MARK4 1313/4885CCNE1 40/4885

“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.