SCHEMBL23352011

SCHEMBL23352011

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 11/20 0.42
CCNH P51946 10/20 0.42
MNAT1 P51948 10/20 0.42
CDK2 P24941 10/20 0.38
CDK9 P50750 8/20 0.38
CDK4 P11802 1/20 0.35
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
CCNE1 P24864 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
SCHEMBL23351991 0.91 CDK7 (0.44) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL21482003 0.90 CDK7 (0.40) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL23352106 0.90 CDK7 (0.44) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL23352002 0.90 CDK7 (0.43) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL21481485 0.90 CDK7 (0.43) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL23352020 0.90 CDK7 (0.43) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL23351998 0.89 CDK7 (0.44) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL23352107 0.88 CDK2 (0.48) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL26340881 0.88 CDK7 (0.42) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL23351989 0.88 CDK2 (0.48) CDK7CCNHMNAT1CDK2CDK9

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
WO-2023175173-A1 CDK7 INHIBITORS FOR ANTIVIRAL TREATMENT QURIENT CO., LTD. (KR) 2023-09-21 WO 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 CDK7 10/4885CCNH 56/4885MNAT1 94/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP CDK7 159/4885CCNH 1109/4885MNAT1 747/4885

“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.