SCHEMBL3837574

SCHEMBL3837574

COc1ccc(C(=O)c2ccc(N(C3CCNCC3)S(C)(=O)=O)nc2N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
PTGIR P43119 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CCNA2 P20248 1/20 0.35
MAPT P10636 3/20 0.35
MC4R P32245 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP11B1 P15538 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
SCHEMBL3835505 0.89 STS (0.41) CDK2CDK1CDK4CCND1CCNA2
SCHEMBL3836163 0.88 CDK1 (0.35) CDK2CDK1CDK4CCND1CDK5
SCHEMBL4346544 0.86 CDK1 (0.44) CDK2CDK1CDK4CCND1NPC1
SCHEMBL3835671 0.83 CDK1 (0.56) CDK2CDK1CDK4CCND1CHRM2
SCHEMBL3837046 0.80 CDK1 (0.51) CDK2CDK1CDK4CCND1MC4R
SCHEMBL3836061 0.79 CDK2 (0.51) CDK2CDK1CDK4CCND1CCNA2
SCHEMBL3837043 0.79 CDK2 (0.40) CDK2CDK1CDK4CCND1MAPT
SCHEMBL3835328 0.79 CDK2 (0.46) CDK2CDK1CDK4CCND1CHRM1
SCHEMBL3835465 0.79 CDK1 (0.43) CDK2CDK1CDK4CCND1MC4R
SCHEMBL3835720 0.78 CDK1 (0.42) CDK2CDK1CDK4CCND1MAPT

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.