SCHEMBL19912775

SCHEMBL19912775

CC(C)c1cnn2c(NCc3cccc(N)c3)nc(OC3CCN(C)C3)nc12

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.92
▸ CDK9 P50750 13/20 0.92
▸ CCNE1 P24864 1/20 0.61
▸ CDK7 P50613 5/20 0.53
▸ CCNH P51946 5/20 0.53
▸ MNAT1 P51948 5/20 0.53

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
SCHEMBL29842037 0.96 CDK2 (1.00) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL18050991 0.96 CDK2 (1.00) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL19912790 0.90 CDK2 (0.78) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL19912788 0.89 CDK2 (0.84) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL19912791 0.87 CDK2 (0.81) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL19912793 0.86 CDK2 (0.77) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL18050987 0.86 CDK2 (0.81) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL21741853 0.85 CDK2 (1.00) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15238162 0.85 CDK2 (1.00) CDK2CDK9CCNE1CDK7CCNH
SCHEMBL15241386 0.85 CDK2 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-30 — — US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 — — US disclosed
US-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-01 — — 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-20180057497-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK1, CDK19 CDK2 13/4885CDK9 8/4885CCNE1 33/4885
US-11186576-B2 Pyrazolo[1,5-A][1,3,5]triazine and pyrazolo[1,5-A]pyrimidine derivatives as CDK inhibitors CDK15, CDK1, CDK19 CDK2 13/4885CDK9 8/4885CCNE1 33/4885

“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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