SCHEMBL21482005

SCHEMBL21482005

CC(C)c1cnn2c(NCc3ccccc3-c3nccc4cc(N)ccc34)nc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 14/20 0.40
CDK2 P24941 15/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CCNE1 P24864 1/20 0.37
MAPK8 P45983 1/20 0.35
ACHE P22303 1/20 0.35
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 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
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL26974024 0.87 CDK9 (0.44) CDK9CDK2CCNE1ACHEDYRK3
SCHEMBL23352011 0.87 CDK7 (0.42) CDK9CDK2CCNE1CCNA2
SCHEMBL21482003 0.85 CDK7 (0.40) CDK9CDK2
SCHEMBL26696940 0.82 CDK2 (0.56) CDK9CDK2
SCHEMBL23352092 0.81 CDK2 (0.43) CDK9CDK2CCNE1DYRK3CCNT1
SCHEMBL21482000 0.80 CDK9 (0.43) CDK9CDK2CKS1BSKP1SKP2
SCHEMBL21484081 0.79 CDK9 (0.45) CDK9CDK2CCNE1ACHEDYRK3
SCHEMBL23351995 0.79 CDK2 (0.44) CDK9CDK2DYRK3CCNT1CCNA2
SCHEMBL23351756 0.79 CDK2 (0.43) CDK9CDK2
SCHEMBL23352010 0.78 CDK9 (0.42) CDK9CDK2CCNE1ACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 US disclosed
WO-2019197546-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES QURIENT CO., LTD. (KR) 2019-10-17 WO 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 CDK9 7/4885CDK2 9/4885CKS1B 43/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP CDK9 237/4885CDK2 171/4885CKS1B 592/4885

“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.