SCHEMBL19918841

SCHEMBL19918841

CC(=O)Nc1cccc(CNc2nc(OC3CCN(C)CC3)nc3c(C4CC4)cnn23)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.79
▸ CDK9 P50750 14/20 0.79
▸ CDK7 P50613 4/20 0.51
▸ CCNH P51946 4/20 0.51
▸ MNAT1 P51948 4/20 0.51
▸ CCNE1 P24864 1/20 0.46

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
SCHEMBL19918840 0.85 CDK7 (0.71) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL23713224 0.80 CDK2 (0.85) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL19918818 0.79 CDK2 (0.82) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL29842260 0.79 CDK2 (0.82) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL31477755 0.78 CDK2 (1.00) CDK2CDK9
SCHEMBL23698005 0.78 CDK2 (0.80) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18073066 0.78 CDK2 (0.80) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18051036 0.78 CDK2 (0.79) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18050937 0.78 CDK2 (0.62) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL29842284 0.78 CDK2 (0.62) CDK2CDK9CDK7CCNHMNAT1

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-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

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 8/4885CDK7 11/4885
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 8/4885CDK7 11/4885

“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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