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Sugi Predict / Compounds / SCHEMBL3835328

SCHEMBL3835328

SCHEMBL3835328

CS(=O)(=O)N(c1ccc(C(=O)c2c(F)cccc2F)c(N)n1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.46
▸ CDK1 P06493 6/20 0.46
▸ CDK4 P11802 6/20 0.46
▸ CCND1 P24385 5/20 0.46
▸ CDK5 Q00535 2/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ SLC6A2 P23975 7/20 0.34
▸ SLC6A4 P31645 6/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ CASK O14936 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CDKL5 O76039 1/20 0.33
▸ STK10 O94804 1/20 0.33
▸ CDK14 O94921 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ MAK P20794 1/20 0.33
▸ CDK11B P21127 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ CLK1 P49759 1/20 0.33

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
SCHEMBL3837043 0.90 CDK2 (0.40) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL3522557 0.86 CDK2 (0.54) CDK2CDK1CDK4CCND1CDK5
SCHEMBL3836163 0.84 CDK1 (0.35) CDK2CDK1CDK4CCND1CDK5
SCHEMBL3836061 0.84 CDK2 (0.51) CDK2CDK1CDK4CCND1CDK5
SCHEMBL3837688 0.81 CDK2 (0.42) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL3835671 0.80 CDK1 (0.56) CDK2CDK1CDK4CCND1SLC6A2
SCHEMBL3835505 0.80 STS (0.41) CDK2CDK1CDK4CCND1CDK5
SCHEMBL3835465 0.80 CDK1 (0.43) CDK2CDK1CDK4CCND1CDK5
SCHEMBL3837046 0.79 CDK1 (0.51) CDK2CDK1CDK4CCND1CDK5
SCHEMBL3837574 0.79 CDK2 (0.38) CDK2CDK1CDK4CCND1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771420-B1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-10-14 — — EP claimed
US-7423051-B2 2,6-diaminopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 — — US claimed
EP-1771420-A1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-11 — — EP claimed
US-20060014708-A1 2,6-Diaminopyridine derivatives BARTKOVITZ DAVID J 2006-01-19 — — US claimed
WO-2006005548-A1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 — — WO claimed
EP-1771420-B1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-10-14 — — EP disclosed
US-7423051-B2 2,6-diaminopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 — — US disclosed
EP-1771420-A1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-11 — — EP disclosed
US-20060014708-A1 2,6-Diaminopyridine derivatives BARTKOVITZ DAVID J 2006-01-19 — — US disclosed
WO-2006005548-A1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 — — 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 (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-20060014708-A1 2,6-Diaminopyridine derivatives CDK2, CCNA2, CDK6 CDK2 1/4885CDK1 6/4885CDK4 9/4885

“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.