SCHEMBL23351995

SCHEMBL23351995

C=C(C)C(=O)Nc1ccc2c(-c3ccccc3CNc3nc(N4CCC(N)CC4)nc4c(C(C)C)cnn34)nccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.44
CDK9 P50750 15/20 0.44
CDK7 P50613 3/20 0.39
CCNH P51946 3/20 0.39
MNAT1 P51948 3/20 0.39
DYRK3 O43781 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL23351756 0.91 CDK2 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23351993 0.91 CDK2 (0.46) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL26340656 0.91 CDK2 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23352021 0.90 CDK2 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23352092 0.90 CDK2 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL26340651 0.89 CDK2 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23381945 0.88 CDK2 (0.41) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23352111 0.88 CDK2 (0.42) CDK2CDK9CDK7DYRK3CCNT1
SCHEMBL21481510 0.87 CDK2 (0.43) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23352091 0.87 CDK7 (0.41) CDK2CDK9CDK7CCNHMNAT1

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 2 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

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 CDK2 9/4885CDK9 7/4885CDK7 10/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP CDK2 171/4885CDK9 237/4885CDK7 159/4885

“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.