SCHEMBL3835552

SCHEMBL3835552

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 10/20 0.58
CDK4 P11802 9/20 0.58
CCND1 P24385 9/20 0.58
CDK2 P24941 9/20 0.58
EPHX2 P34913 6/20 0.48
MAP4K4 O95819 1/20 0.43
NOS2 P35228 1/20 0.41
BTK Q06187 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL3836156 0.89 CDK1 (0.56) CDK1CDK4CCND1CDK2MAP4K4
SCHEMBL3841254 0.89 CDK2 (0.57) CDK1CDK4CCND1CDK2MAP4K4
SCHEMBL3841297 0.89 CDK1 (0.74) CDK1CDK4CCND1CDK2MAP4K4
SCHEMBL3842619 0.88 CDK1 (0.55) CDK1CDK4CCND1CDK2MAP4K4
SCHEMBL3834933 0.87 CDK1 (0.54) CDK1CDK4CCND1CDK2MAP4K4
SCHEMBL3837689 0.86 CDK2 (0.56) CDK1CDK4CCND1CDK2SYK
SCHEMBL3835400 0.84 CDK2 (0.58) CDK1CDK4CCND1CDK2MAP4K4
SCHEMBL3837044 0.83 CDK1 (0.59) CDK1CDK4CCND1CDK2SYK
SCHEMBL3839661 0.83 CDK1 (0.59) CDK1CDK4CCND1CDK2MAP4K4
SCHEMBL3836049 0.82 CDK1 (0.52) CDK1CDK4CCND1CDK2MAP4K4

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 13 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
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
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.