Sugi Predict

Sugi Predict / Compounds / SCHEMBL3839030

SCHEMBL3839030

SCHEMBL3839030

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.39
▸ CDK4 P11802 4/20 0.39
▸ CCND1 P24385 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ NEK2 P51955 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ P2RX7 Q99572 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ ROCK2 O75116 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
SCHEMBL3836113 0.89 CDK1 (0.39) CDK1CDK4CCND1CDK2ALDH1A1
SCHEMBL3835912 0.82 CDK1 (0.47) CDK1CDK4CCND1CDK2MAPT
SCHEMBL27682344 0.79 BTK (0.42) ALDH1A1MAPTNPC1RAB9AKCNQ3
SCHEMBL3835745 0.77 MAPK14 (0.50) CDK1CDK4CCND1CDK2MAPK14
SCHEMBL3840370 0.77 CDK2 (0.48) CDK1CDK4CCND1CDK2ALDH1A1
SCHEMBL3835005 0.73 CDK1 (0.49) CDK1CDK4CCND1CDK2ROCK2
SCHEMBL3836179 0.73 CDK1 (0.52) CDK1CDK4CCND1CDK2ROCK2
SCHEMBL4348389 0.73 SMN1; SMN2 (0.44) CDK1CDK4CCND1CDK2ALDH1A1
SCHEMBL3835465 0.72 CDK1 (0.43) CDK1CDK4CCND1CDK2ROCK2
SCHEMBL3837048 0.72 ALDH1A1 (0.49) CDK1CDK4CCND1CDK2ALDH1A1

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.