SCHEMBL29842284

SCHEMBL29842284

C=CC(=O)N1CCC(C(=O)Nc2cccc(CNc3nc(OC4CCN(C)CC4)nc4c(CC)cnn34)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.62
▸ CDK9 P50750 8/20 0.62
▸ CDK7 P50613 10/20 0.62
▸ CCNH P51946 10/20 0.62
▸ MNAT1 P51948 10/20 0.62

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
SCHEMBL18050937 1.00 CDK2 (0.62) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18051027 0.91 CDK2 (0.77) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18073012 0.90 CDK7 (0.72) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL29842010 0.87 CDK7 (0.82) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18051048 0.87 CDK7 (0.82) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18072872 0.85 CDK7 (0.79) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18051079 0.84 CDK7 (0.74) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL19896515 0.83 CDK7 (0.72) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL18050912 0.83 CDK7 (0.88) CDK2CDK9CDK7CCNHMNAT1
SCHEMBL29842261 0.83 CDK7 (0.88) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-09-08 — — 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 (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-20220281871-A1 Pyrazolo[1,5-A][1,3,5]Triazine and Pyrazolo[1,5-A]Pyrimidine Derivatives as CDK Inhibitors CDK15, CDK13, CDK1 CDK2 16/4885CDK9 10/4885CDK7 15/4885

“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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