SCHEMBL21486446

SCHEMBL21486446

CC(C)c1cnn2c(NCc3ccccc3-c3ccc4ccccc4n3)cc(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.46
▸ CDK2 P24941 8/20 0.42
▸ CCNE1 P24864 7/20 0.42
▸ CCNH P51946 7/20 0.42
▸ CDK1 P06493 6/20 0.42
▸ MNAT1 P51948 6/20 0.42
▸ CDK4 P11802 4/20 0.42
▸ CDK9 P50750 4/20 0.42
▸ CDK6 Q00534 4/20 0.42
▸ CDK5 Q00535 4/20 0.42
▸ CDK8 P49336 3/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ INSRR P14616 1/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL29899423 0.84 CDK7 (0.48) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23530960 0.84 CDK7 (0.48) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL21486447 0.82 CDK7 (0.42) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL30209116 0.81 CDK7 (0.51) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL24962532 0.81 CDK7 (0.51) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL1368924 0.80 CDK7 (0.67) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23382171 0.79 CDK7 (0.51) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23381954 0.79 CDK7 (0.55) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL23381632 0.79 CDK9 (0.42) CDK7CDK2CCNE1CCNHCDK1
SCHEMBL24963424 0.79 CDK2 (0.53) CDK7CDK2CCNE1CCNHCDK1

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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