SCHEMBL12845966

SCHEMBL12845966

CC(=O)n1nc(Nc2nc(-c3ccc(S(=O)(=O)NCCN(C)C)s3)ncc2[Si](C)(C)C)cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ F10 P00742 1/20 0.31
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNB3 Q8WWL7 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL1164686 0.91 CCNA2 (0.39) CCNA2CDK2F10CCNB2CDK1
SCHEMBL1164761 0.88 CCNA2 (0.39) CCNA2CDK2
SCHEMBL12785107 0.83 CCNA2 (0.39) CCNA2CDK2F10
SCHEMBL12785109 0.79 CCNA2 (0.39) CCNA2CDK2
SCHEMBL2071643 0.78 CDK2 (0.41) CCNA2CDK2CDK1
SCHEMBL16001674 0.78 CCNA2 (0.40) CCNA2CDK2
SCHEMBL1164895 0.75 CCNA2 (0.38) CCNA2CDK2
SCHEMBL1163867 0.72 CCNA2 (0.60) CCNA2CDK2
SCHEMBL1164010 0.72 CCNA2 (0.39) CCNA2CDK2
SCHEMBL12784003 0.72 CCNA2 (0.71) CCNA2CDK2

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-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-03 — — 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-20110053916-A1 PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS TYMS, TYMP, DPYD CCNA2 1047/4885CDK2 122/4885F10 4405/4885

“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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