SCHEMBL20740530

SCHEMBL20740530

CCCC[Sn](CCCC)(CCCC)c1ncc2nc(C)n(C(C)C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ DYRK4 Q9NR20 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ CDK6 Q00534 4/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ DAPK1 P53355 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
SCHEMBL29172743 0.70 ALDH1A1 (0.31) —
SCHEMBL20740567 0.69 CDK5 (0.42) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL28922229 0.68 CASR (0.31) CDK6CDK4
SCHEMBL8422995 0.67 — —
SCHEMBL11057987 0.66 — —
SCHEMBL29893529 0.66 KDM4E (0.33) —
SCHEMBL30048707 0.65 — —
SCHEMBL21927511 0.64 CDK5 (0.45) CSNK1ECLK1CLK2CLK3GSK3B
SCHEMBL31526577 0.63 EGFR (0.30) —
SCHEMBL11065399 0.62 — —

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-3444246-B1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) 2019-11-06 — — EP disclosed
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2019-11-05 — — US disclosed
US-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) 2019-03-07 — — US disclosed
EP-3444246-A1 2,4-DISUBSTITUTED PYRIMIDINE 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-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CDK4, CDK2, CDK6 CSNK1E 142/4885CLK1 1002/4885CLK2 294/4885
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors CDK4, CDK2, CDK6 CSNK1E 158/4885CLK1 982/4885CLK2 328/4885

“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.

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