SCHEMBL21486447

SCHEMBL21486447

CC(C)c1cnn2c(NCc3ccccc3-c3ccc4ccccc4n3)cc(N3CCC(N)CC3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.42
▸ CDK2 P24941 11/20 0.41
▸ CCNE1 P24864 8/20 0.41
▸ CCNH P51946 7/20 0.41
▸ MNAT1 P51948 6/20 0.41
▸ CDK1 P06493 6/20 0.41
▸ CDK9 P50750 7/20 0.39
▸ CDK5 Q00535 5/20 0.39
▸ CDK4 P11802 4/20 0.39
▸ CDK6 Q00534 4/20 0.39
▸ CDK8 P49336 3/20 0.39
▸ CCNT1 O60563 3/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ DYRK1A Q13627 2/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37

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 0.85 CDK9 (0.46) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23382112 0.85 CKS1B (0.41) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL21486446 0.82 CDK7 (0.46) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL23382119 0.79 CDK7 (0.52) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL23382180 0.78 CDK9 (0.45) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23382171 0.77 CDK7 (0.51) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL23381967 0.76 CDK9 (0.46) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23381954 0.74 CDK7 (0.55) CDK7CDK2CCNE1CCNHMNAT1
SCHEMBL23381637 0.74 CDK9 (0.46) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23382008 0.74 CDK9 (0.42) CDK7CDK2CCNE1CCNHMNAT1

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 CDK7 14/4885CDK2 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.

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