SCHEMBL3839632

SCHEMBL3839632

Nc1nc(Cl)ccc1C(=O)c1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.52
GAA P10253 1/20 0.44
CDK4 P11802 9/20 0.44
CDK1 P06493 2/20 0.40
CCND1 P24385 2/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6027091 0.87 CDK2 (0.54) CDK2CDK4CDK1CCND1CCNB1
SCHEMBL3837048 0.84 ALDH1A1 (0.49) CDK2GAACDK4CDK1CCND1
SCHEMBL28014547 0.77 GAA (0.47) CDK2GAACDK4CES2CES1
SCHEMBL3837825 0.76 LTA4H (0.43) CDK2CES2CES1MEN1KMT2A
SCHEMBL3840370 0.76 CDK2 (0.48) CDK2GAACDK4CDK1CCND1
SCHEMBL4416712 0.75 CDK2 (0.74) CDK2CDK4CCND1MEN1KMT2A
SCHEMBL4414254 0.74 CDK2 (0.77) CDK2CDK4CDK1CCND1CCNB1
SCHEMBL4411192 0.73 CDK2 (0.61) CDK2CDK4CDK1CCND1MEN1
SCHEMBL393852 0.72 GABRP (0.50) GAAMEN1KMT2A
SCHEMBL392559 0.72 IKBKB (0.46) GAAMEN1KMT2A

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 8 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 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 CDK2 1/4885GAA 3459/4885CDK4 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.