SCHEMBL3837688

SCHEMBL3837688

CCS(=O)(=O)N(c1ccc(C(=O)c2ccccc2F)c(N)n1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.42
CDK1 P06493 5/20 0.42
CDK4 P11802 5/20 0.42
CCND1 P24385 5/20 0.42
SLC6A4 P31645 8/20 0.36
KCNH2 Q12809 3/20 0.36
SLC6A2 P23975 9/20 0.36
SLC6A3 Q01959 7/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNE1 P24864 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PAK1 Q13153 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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 0.91 CDK2 (0.40) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL4350754 0.87 CDK1 (0.48) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL3835495 0.81 CDK1 (0.48) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL3835328 0.81 CDK2 (0.46) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL4350208 0.79 CDK1 (0.47) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL3835671 0.77 CDK1 (0.56) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL3836163 0.76 CDK1 (0.35) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL4348154 0.74 CDK1 (0.62) CDK2CDK1CDK4CCND1SLC6A4
SCHEMBL3835720 0.74 CDK1 (0.42) CDK2CDK1CDK4CCND1MAPT
SCHEMBL3835465 0.73 CDK1 (0.43) CDK2CDK1CDK4CCND1SLC6A4

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.