SCHEMBL21484081

SCHEMBL21484081

CC(C)c1cnn2c(NCc3ccccc3-c3nccc4ccccc34)nc(N3CCC(N)CC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 12/20 0.45
CDK2 P24941 14/20 0.45
CDK5 Q00535 3/20 0.45
CDK5R1 Q15078 3/20 0.45
CCNT1 O60563 2/20 0.45
CCNA2 P20248 2/20 0.45
DYRK3 O43781 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CCNE1 P24864 3/20 0.42
ACHE P22303 4/20 0.41
CDK7 P50613 2/20 0.39
CDK1 P06493 1/20 0.39
CCNH P51946 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 0.86 CDK9 (0.44) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23351756 0.85 CDK2 (0.43) CDK9CDK2CDK7CCNH
SCHEMBL23351995 0.85 CDK2 (0.44) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23351993 0.85 CDK2 (0.46) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23381640 0.85 CDK9 (0.46) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23381637 0.84 CDK9 (0.46) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23382169 0.84 CDK9 (0.47) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23381997 0.84 CDK9 (0.46) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23381749 0.83 CDK9 (0.46) CDK9CDK2CDK5CDK5R1CCNT1
SCHEMBL23381967 0.83 CDK9 (0.46) CDK9CDK2CDK5CDK5R1CCNT1

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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE 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 (1 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 CDK9 12/4885CDK2 2/4885CDK5 5/4885

“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.