SCHEMBL20416030

SCHEMBL20416030

C[C@]1(N)CCC[C@@H](Nc2ncc3c(n2)-c2c4c(cccc4nn2COCC[Si](C)(C)C)C3)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 14/20 0.33
▸ CDK2 P24941 14/20 0.33
▸ CCNA1 P78396 14/20 0.33
▸ AURKA O14965 5/20 0.32

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
SCHEMBL20416035 0.83 CCNA2 (0.32) CCNA2CDK2CCNA1AURKA
SCHEMBL20416033 0.83 — —
SCHEMBL17150641 0.81 CDK2 (0.38) CCNA2CDK2CCNA1
SCHEMBL20416031 0.78 CDK7 (0.45) CCNA2CDK2
SCHEMBL20416032 0.78 CDK7 (0.45) CCNA2CDK2
SCHEMBL21026880 0.77 ALOX5AP (0.34) —
SCHEMBL20416029 0.71 CDK7 (0.42) CDK2
SCHEMBL20416347 0.71 CDK7 (0.42) CDK2
SCHEMBL17141323 0.68 CCNT1 (0.34) CDK2
SCHEMBL20412364 0.67 CDK2 (0.34) CCNA2CDK2CCNA1AURKA

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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNA2 38/4885CDK2 7/4885CCNA1 28/4885

“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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