SCHEMBL20740503

SCHEMBL20740503

O=C1C(C2CC2)Oc2cnc(Cl)nc2N1C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
RPS6KA6 Q9UK32 2/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
MARK3 P27448 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
MARK4 Q96L34 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL20740476 0.96 ALDH1A1 (0.33) ALDH1A1RPS6KA6ABL1BCRMARK3
SCHEMBL20740438 0.81 RPS6KA6 (0.32) ALDH1A1RPS6KA6MARK3SMN1; SMN2
SCHEMBL20768350 0.81 RPS6KA6 (0.32) RPS6KA6LMNAKMT2A
SCHEMBL20740484 0.80 RPS6KA6 (0.35) ALDH1A1RPS6KA6ABL1BCR
SCHEMBL20740439 0.80 RPS6KA6 (0.33) RPS6KA6
SCHEMBL27196797 0.75 PIK3CD (0.38) ALDH1A1RPS6KA6ABL1BCRMARK3
SCHEMBL20740452 0.74 CCNC (0.34)
SCHEMBL20740490 0.72 MARK3 (0.35) RPS6KA6MARK3MARK4KMT2A
SCHEMBL20740491 0.72 MARK3 (0.40) RPS6KA6ABL1BCRMARK3LMNA
SCHEMBL20740467 0.72 MARK3 (0.35) RPS6KA6MARK3MARK4

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 ALDH1A1 1708/4885RPS6KA6 182/4885ABL1 286/4885
US-10351578-B2 Heterocyclic-substituted pyridinopyrimidinone derivative as CDK inhibitor and use thereof CDK4, CDK6, CCNI ALDH1A1 1708/4885RPS6KA6 182/4885ABL1 286/4885

“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.