SCHEMBL3384847

SCHEMBL3384847

CS(=O)(=O)N1CCC(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.70
CDK5R1 Q15078 9/20 0.70
CDK2 P24941 11/20 0.55
CCNA2 P20248 7/20 0.55
CDK1 P06493 4/20 0.51
CDK4 P11802 4/20 0.51
CCND1 P24385 4/20 0.51

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
SCHEMBL3388436 0.95 CDK5 (0.80) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL14073856 0.88 CDK5 (0.67) CDK5CDK5R1CDK2CCNA2
SCHEMBL3384264 0.88 CDK2 (0.64) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL3386774 0.87 CDK5 (0.72) CDK5CDK5R1CDK2CCNA2
SCHEMBL14073883 0.86 CDK5 (0.64) CDK5CDK5R1CDK2CCNA2CDK4
SCHEMBL14073863 0.86 CDK5 (0.64) CDK5CDK5R1CDK2CCNA2
SCHEMBL3386683 0.86 CDK5 (0.74) CDK5CDK5R1CDK2CCNA2
SCHEMBL14073872 0.85 CDK5 (0.63) CDK5CDK5R1CDK2CCNA2
SCHEMBL14073889 0.85 CDK2 (0.53) CDK5CDK5R1CDK2CCNA2CDK1
SCHEMBL28765718 0.84 CDK5 (0.69) CDK5CDK5R1CDK2CCNA2CDK4

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 13 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
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
CN-1976910-B 2, 4-diaminothiazol-5-one derivatives HOFFMANN LA ROCHE 2010-07-21 CN disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
CN-1976910-A Novel 2, 4-diaminothiazol-5-one derivatives HOFFMANN LA ROCHE (CH) 2007-06-06 CN disclosed
EP-1771424-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006005508-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO 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 CDK5 19/4885CDK5R1 49/4885CDK2 2/4885

“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.