SCHEMBL3835912

SCHEMBL3835912

COc1ccc(F)cc1C(=O)c1ccc(Cl)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.47
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
CDK2 P24941 3/20 0.47
CHRNA7 P36544 1/20 0.42
PIN1 Q13526 4/20 0.40
MAPK14 Q16539 3/20 0.39
POLB P06746 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
PYGL P06737 1/20 0.38
MAPT P10636 2/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 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
SCHEMBL3835745 0.84 MAPK14 (0.50) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL3836113 0.84 CDK1 (0.39) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL3839030 0.82 CDK1 (0.39) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL27682344 0.79 BTK (0.42) POLBMAPTKCNQ3KCNQ2TP53
SCHEMBL3840370 0.79 CDK2 (0.48) CDK1CDK4CCND1CDK2MAPT
SCHEMBL8178069 0.76 MAPK14 (0.52) PIN1MAPK14MAPTMAPK1SMN1; SMN2
SCHEMBL13632163 0.76 CDK1 (0.63) CDK1CDK4CCND1CDK2CLK1
SCHEMBL4361083 0.76 CDK1 (0.53) CDK1CDK4CCND1CDK2POLB
SCHEMBL3837825 0.75 LTA4H (0.43) CDK2MAPK14MAPTKCNQ3KCNQ2
SCHEMBL5001832 0.74 CDK1 (0.45) CDK1CDK4CCND1CDK2CHRNA7

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 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.