SCHEMBL21484071

SCHEMBL21484071

CC(C)c1cnn2c(NCc3ccccc3-c3ccc4ccccc4n3)nc(S(C)(=O)=O)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 11/20 0.41
CDK2 P24941 14/20 0.40
CCNE1 P24864 3/20 0.40
CDK5 Q00535 4/20 0.39
CDK5R1 Q15078 4/20 0.39
CDK7 P50613 3/20 0.39
CCNT1 O60563 2/20 0.39
CCNA2 P20248 2/20 0.39
CCNH P51946 1/20 0.39
PTGS2 P35354 1/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
CDK1 P06493 1/20 0.36
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36

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
SCHEMBL15238140 0.86 CDK2 (0.47) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL15238171 0.85 CDK2 (0.46) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL23381632 0.84 CDK9 (0.42) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL15238125 0.82 CDK9 (0.42) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL15245997 0.82 CDK9 (0.44) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL15238133 0.81 CDK2 (0.42) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL15238050 0.81 CDK9 (0.41) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL15246101 0.81 CDK9 (0.45) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL15245986 0.81 CDK9 (0.45) CDK9CDK2CCNE1CDK5CDK5R1
SCHEMBL23382005 0.81 CDK2 (0.44) CDK9CDK2CCNE1CDK5CDK5R1

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 2/4885CCNE1 31/4885

“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.