Sugi Predict

Sugi Predict / Compounds / SCHEMBL3836113

SCHEMBL3836113

SCHEMBL3836113

COc1cc(Cl)c(F)cc1C(=O)c1ccc(Cl)nc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ NEK2 P51955 1/20 0.36
▸ FYN P06241 1/20 0.35

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
SCHEMBL3839030 0.89 CDK1 (0.39) CDK1CDK4CCND1CDK2MAPK13
SCHEMBL3835912 0.84 CDK1 (0.47) CDK1CDK4CCND1CDK2MAPK13
SCHEMBL3835745 0.80 MAPK14 (0.50) CDK1CDK4CCND1CDK2MAPK13
SCHEMBL27682344 0.80 BTK (0.42) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL3840370 0.78 CDK2 (0.48) CDK1CDK4CCND1CDK2GAA
SCHEMBL3837048 0.76 ALDH1A1 (0.49) CDK1CDK4CCND1CDK2GAA
SCHEMBL3837839 0.75 CDK1 (0.49) CDK1CDK4CCND1CDK2
SCHEMBL3839706 0.75 CDK1 (0.54) CDK1CDK4CCND1CDK2
SCHEMBL4352555 0.75 SMN1; SMN2 (0.43) CDK1CDK4CCND1CDK2ALDH1A1
SCHEMBL3835720 0.75 CDK1 (0.42) CDK1CDK4CCND1CDK2MAPT

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.