SCHEMBL20740567

SCHEMBL20740567

Cc1nc2cnc(Cl)nc2n1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ CSNK1E P49674 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ DYRK4 Q9NR20 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ CDK6 Q00534 7/20 0.36
▸ CDK4 P11802 4/20 0.35
▸ CCND1 P24385 3/20 0.35
▸ CCND3 P30281 3/20 0.35
▸ DAPK1 P53355 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32

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
SCHEMBL20740512 0.82 CDK6 (0.53) CDK5DYRK1ACDK5R1CSNK1ECLK1
SCHEMBL17168772 0.79 ADORA2B (0.34) PIK3CAMTORALDH1A1SMN1; SMN2
SCHEMBL22190717 0.77 CYP1A2 (0.39) CLK4CDK4CCND1CCND3ALDH1A1
SCHEMBL21927511 0.74 CDK5 (0.45) CDK5DYRK1ACDK5R1CSNK1ECLK1
SCHEMBL30888949 0.74 DYRK1A (0.54) CDK5DYRK1ACDK5R1CSNK1ECLK1
SCHEMBL21522732 0.74 DYRK1A (0.54) CDK5DYRK1ACDK5R1CSNK1ECLK1
SCHEMBL10316608 0.70 CDK1 (0.50) CDK5EGFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL1496411 0.70 CDK2 (0.46) CDK5DYRK1ACDK5R1ALDH1A1CCNA2
SCHEMBL20740530 0.69 CSNK1E (0.35) CDK5DYRK1ACDK5R1CSNK1ECLK1
SCHEMBL18830089 0.69 MET (0.39) CDK5DYRK1ACDK5R1CLK1KDM4E

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 6 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
CN-107286134-B 2,4- disubstituted pyrimidines derivatives are as CDK inhibitor and its application 上海勋和医药科技有限公司 2019-04-12 — — CN 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
CN-107286134-A 2,4- disubstituted pyrimidines derivatives are used as CDK inhibitor and its application 上海勋和医药科技有限公司 2017-10-24 — — CN 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 CDK5 15/4885DYRK1A 955/4885CDK5R1 45/4885
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors CDK4, CDK2, CDK6 CDK5 15/4885DYRK1A 870/4885CDK5R1 46/4885

“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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