SCHEMBL3386063

SCHEMBL3386063

COc1ccc(F)c(F)c1C(=O)c1sc(N(C2CCNCC2)S(C)(=O)=O)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.43
CDK4 P11802 6/20 0.43
CCND1 P24385 6/20 0.43
CDK1 P06493 5/20 0.43
CDK5 Q00535 3/20 0.43
CLK1 P49759 2/20 0.43
CDK9 P50750 2/20 0.43
CDK6 Q00534 2/20 0.43
CDK11A Q9UQ88 2/20 0.43
CASK O14936 1/20 0.43
ROCK2 O75116 1/20 0.43
CDKL5 O76039 1/20 0.43
STK10 O94804 1/20 0.43
CDK14 O94921 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
MAK P20794 1/20 0.43
CDK11B P21127 1/20 0.43
TTK P33981 1/20 0.43
CLK2 P49760 1/20 0.43

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
SCHEMBL3384727 0.86 CDK5 (0.42) CDK2CDK5CLK1GSK3AGSK3B
SCHEMBL3384258 0.84 CDK5 (0.44) CDK2CDK4CCND1CDK1CDK5
SCHEMBL3836061 0.81 CDK2 (0.51) CDK2CDK4CCND1CDK1CDK5
SCHEMBL6195580 0.80 CDK5 (0.40) CDK2CDK4CCND1CDK1CDK5
SCHEMBL2397064 0.80 CDK1 (0.58) CDK2CDK4CCND1CDK1CDK5
SCHEMBL3385078 0.78 CDK5 (0.58) CDK2CDK4CCND1CDK1CDK5
Formaldehyde SCHEMBL5005032 0.77 CDK5 (0.56) CDK2CDK4CCND1CDK1CDK5
SCHEMBL3384838 0.76 CDK5 (0.60) CDK2CDK5GSK3AGSK3BCDK5R1
SCHEMBL5654700 0.76 CDK1 (0.56) CDK2CDK4CCND1CDK1CDK5
SCHEMBL6198783 0.75 CDK5 (0.45) CDK2CDK4CCND1CDK1CDK5

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-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP claimed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US claimed
EP-1771424-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP claimed
US-20060014958-A1 4-Aminothiazole derivatives CHEN LI 2006-01-19 US claimed
WO-2006005508-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-20060014958-A1 4-Aminothiazole derivatives CHEN LI 2006-01-19 US 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-20060014958-A1 4-Aminothiazole derivatives CDK4, CDK2, CCNI CDK2 2/4885CDK4 1/4885CCND1 36/4885

“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.