Sugi Predict

Sugi Predict / Compounds / SCHEMBL4363543

SCHEMBL4363543

SCHEMBL4363543

CCS(=O)(=O)N(c1ncc(C(=O)c2cc(F)ccc2OC)c(N)n1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 16/20 0.54
▸ CDK4 P11802 15/20 0.54
▸ CCND1 P24385 15/20 0.54
▸ CDK2 P24941 15/20 0.54
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ CASK O14936 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CDKL5 O76039 1/20 0.39
▸ STK10 O94804 1/20 0.39
▸ CDK14 O94921 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ MAK P20794 1/20 0.39
▸ CDK11B P21127 1/20 0.39
▸ TTK P33981 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ GSK3A P49840 1/20 0.39

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
SCHEMBL5738072 0.96 CDK1 (0.52) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL5739352 0.96 CDK1 (0.52) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL4350406 0.96 CDK1 (0.52) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL4349331 0.96 CDK1 (0.52) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL3517629 0.91 CDK1 (0.57) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL4360004 0.91 CDK1 (0.51) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL5737753 0.91 CDK1 (0.51) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL5738044 0.90 CDK1 (0.50) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL5736324 0.90 CDK1 (0.50) CDK1CDK4CCND1CDK2SLC6A2
SCHEMBL4348154 0.90 CDK1 (0.62) CDK1CDK4CCND1CDK2SLC6A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 — — US claimed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 — — US claimed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 — — US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 — — US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 — — US disclosed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 — — EP disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 — — US disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 — — WO 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-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 CDK1 6/4885CDK4 1/4885CCND1 32/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 CDK1 6/4885CDK4 1/4885CCND1 31/4885

“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.