SCHEMBL23382008

SCHEMBL23382008

CC(C)c1cnn2c(NCc3ccccc3-c3ccc4ccccc4n3)nc(N3CCOCC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.42
CDK2 P24941 15/20 0.41
CCNE1 P24864 3/20 0.41
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK7 P50613 5/20 0.38
CDK4 P11802 2/20 0.38
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNH P51946 2/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
MNAT1 P51948 1/20 0.36
CDK1 P06493 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL23381749 0.89 CDK9 (0.46) CDK9CDK2CCNE1CDK7CDK5
SCHEMBL23382180 0.87 CDK9 (0.45) CDK9CDK2CCNE1CDK7CDK5
SCHEMBL23382029 0.86 CDK9 (0.41) CDK9CDK2CCNE1CDK7CDK5
SCHEMBL23382161 0.83 CDK9 (0.46) CDK9CDK2CCNE1CDK7CDK4
SCHEMBL23381671 0.81 CDK2 (0.56) CDK9CDK2CCNE1CDK7CDK5
SCHEMBL23381632 0.81 CDK9 (0.42) CDK9CDK2CCNE1NPC1MAPT
SCHEMBL21484083 0.80 CDK2 (0.42) CDK9CDK2CCNE1CDK7CDK5
SCHEMBL23382165 0.80 CDK2 (0.49) CDK9CDK2CCNE1CDK7CDK4
SCHEMBL23382019 0.80 CDK2 (0.46) CDK9CDK2CCNE1CDK7CDK5
SCHEMBL21484071 0.80 CDK9 (0.41) CDK9CDK2CCNE1NPC1MAPT

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 1 patent. 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

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.