SCHEMBL21481492

SCHEMBL21481492

CC(C)c1cnn2c(Cl)nc(N3CCC(N(C)C)CC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.38
CDK2 P24941 12/20 0.35
CDK9 P50750 10/20 0.35
CCR4 P51679 1/20 0.35
CCNE1 P24864 5/20 0.35
CDK7 P50613 4/20 0.34
CCNH P51946 3/20 0.34
MNAT1 P51948 3/20 0.34
CCNT1 O60563 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CDK4 P11802 2/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
GSK3B P49841 1/20 0.33
CCNA1 P78396 1/20 0.33
CHIT1 Q13231 1/20 0.32
CHIA Q9BZP6 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32

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
SCHEMBL21481494 0.86 CDK2 (0.37) PTPN11CDK2CDK9CCR4CCNE1
SCHEMBL26973961 0.73 ALDH1A1 (0.40) CDK2CDK9CCNE1
SCHEMBL21486451 0.72 HRH3 (0.37) PTPN11CDK2CDK9CCNE1CDK7
SCHEMBL26973963 0.72 CDK2 (0.37) CDK2CDK9CCNE1CCNT1CDK5
SCHEMBL29174908 0.71 CDK2 (0.36) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL23382145 0.70 CNR1 (0.44) CDK2CDK9
SCHEMBL21855481 0.70 CDK2 (0.36) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15224742 0.70 CDK2 (0.58) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL23713346 0.69 CDK2 (0.36) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL21484225 0.69 PDE8B (0.36) CDK2CDK9CCNE1CDK7CCNH

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 4 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-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
WO-2019197546-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES 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 (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 PTPN11 774/4885CDK2 9/4885CDK9 7/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP PTPN11 489/4885CDK2 171/4885CDK9 237/4885

“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.