SCHEMBL3521639

SCHEMBL3521639

CS(=O)(=O)N1CCC(Nc2ncc(-c3cc(F)[c]c(F)c3)c(N)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.58
▸ CCND1 P24385 15/20 0.58
▸ CDK1 P06493 12/20 0.58
▸ CDK4 P11802 12/20 0.58
▸ CCNE1 P24864 8/20 0.52
▸ CDK5 Q00535 3/20 0.52
▸ CCNB2 O95067 2/20 0.52
▸ CCNE2 O96020 2/20 0.52
▸ CCNB1 P14635 2/20 0.52
▸ CDK5R1 Q15078 2/20 0.52
▸ CCNB3 Q8WWL7 2/20 0.52
▸ CDK6 Q00534 6/20 0.52
▸ CDK9 P50750 3/20 0.52
▸ CASK O14936 1/20 0.52
▸ ROCK2 O75116 1/20 0.52
▸ CDKL5 O76039 1/20 0.52
▸ STK10 O94804 1/20 0.52
▸ CDK14 O94921 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ EGFR P00533 1/20 0.52

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
SCHEMBL3521636 0.84 CDK2 (0.58) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL4641304 0.77 CDK2 (0.58) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL3522214 0.77 CDK2 (0.55) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL4963711 0.76 CDK2 (0.61) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL5738399 0.76 CDK2 (0.58) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL29754906 0.75 CDK2 (0.60) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL27688677 0.75 CDK2 (0.66) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL5772989 0.74 CDK2 (0.64) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL4352663 0.74 CDK2 (0.75) CDK2CCND1CDK1CDK4CCNE1
SCHEMBL4350211 0.73 CDK1 (0.82) CDK2CCND1CDK1CDK4CDK5

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-7705009-B2 4-aminopyrimidine-5-thione derivatives HOFFMAN-LA ROCHE INC. (US) 2010-04-27 — — US disclosed
US-20070117821-A1 4-Aminopyrimidine-5-thione derivatives DING QINGJIE 2007-05-24 — — 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-20070117821-A1 4-Aminopyrimidine-5-thione derivatives CDK4, CDK1, CDK2 CDK2 3/4885CCND1 40/4885CDK1 2/4885

“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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