SCHEMBL20740484

SCHEMBL20740484

CC(=O)C1Oc2cnc(Cl)nc2N(C2CCCC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA6 Q9UK32 5/20 0.35
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CA P42336 2/20 0.31
ABL1 P00519 1/20 0.30
BCR P11274 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
SCHEMBL20740439 0.88 RPS6KA6 (0.33) RPS6KA6PIK3CA
SCHEMBL20740503 0.80 ALDH1A1 (0.33) RPS6KA6ALDH1A1ABL1BCR
SCHEMBL20740476 0.79 ALDH1A1 (0.33) RPS6KA6ALDH1A1ABL1BCR
SCHEMBL20768350 0.78 RPS6KA6 (0.32) RPS6KA6
SCHEMBL20740438 0.78 RPS6KA6 (0.32) RPS6KA6ALDH1A1
SCHEMBL27196797 0.73 PIK3CD (0.38) RPS6KA6ALDH1A1ABL1BCR
SCHEMBL20740491 0.72 MARK3 (0.40) RPS6KA6ABL1BCR
SCHEMBL20740467 0.70 MARK3 (0.35) RPS6KA6
SCHEMBL20740490 0.70 MARK3 (0.35) RPS6KA6
SCHEMBL20740437 0.69 CCNE1 (0.35) RPS6KA6

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 182/4885ALDH1A1 1708/4885KDM4E 512/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI RPS6KA6 182/4885ALDH1A1 1708/4885KDM4E 512/4885

“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.