SCHEMBL3837044

SCHEMBL3837044

CS(=O)(=O)N1CCC(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.59
CDK4 P11802 12/20 0.59
CCND1 P24385 12/20 0.59
CDK2 P24941 12/20 0.59
CASK O14936 1/20 0.49
ROCK2 O75116 1/20 0.49
CDKL5 O76039 1/20 0.49
STK10 O94804 1/20 0.49
CDK14 O94921 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
MAK P20794 1/20 0.49
CDK11B P21127 1/20 0.49
TTK P33981 1/20 0.49
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK7 P50613 1/20 0.49

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
SCHEMBL3837689 0.91 CDK2 (0.56) CDK1CDK4CCND1CDK2CASK
SCHEMBL3835330 0.90 CDK2 (0.73) CDK1CDK4CCND1CDK2CASK
SCHEMBL3835672 0.86 CDK1 (0.74) CDK1CDK4CCND1CDK2CASK
SCHEMBL3836156 0.86 CDK1 (0.56) CDK1CDK4CCND1CDK2MAPK1
SCHEMBL3836165 0.85 CDK2 (0.55) CDK1CDK4CCND1CDK2CASK
SCHEMBL3842619 0.85 CDK1 (0.55) CDK1CDK4CCND1CDK2EGFR
SCHEMBL4350211 0.84 CDK1 (0.82) CDK1CDK4CCND1CDK2CASK
SCHEMBL3834933 0.84 CDK1 (0.54) CDK1CDK4CCND1CDK2SMN1; SMN2
SCHEMBL3835552 0.83 CDK1 (0.58) CDK1CDK4CCND1CDK2SYK
SCHEMBL3835722 0.83 CDK1 (0.64) CDK1CDK4CCND1CDK2CASK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1980893-B Novel 2,6-diaminopyridine-3-one derivatives HOFFMANN LA ROCHE 2011-01-19 CN claimed
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
CN-1980893-A Novel 2,6-diaminopyridine-3-one derivatives HOFFMANN LA ROCHE (CH) 2007-06-13 CN 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
CN-1980893-B Novel 2,6-diaminopyridine-3-one derivatives HOFFMANN LA ROCHE 2011-01-19 CN disclosed
EP-1771420-B1 NOVEL 2,6-DIAMINOPYRIDINE-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-10-14 EP disclosed
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
US-7423051-B2 2,6-diaminopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-7423051-B2 2,6-diaminopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
CN-1980893-A Novel 2,6-diaminopyridine-3-one derivatives HOFFMANN LA ROCHE (CH) 2007-06-13 CN 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 CDK1 6/4885CDK4 9/4885CCND1 10/4885

“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.