SCHEMBL3384838

SCHEMBL3384838

CS(=O)(=O)N(c1nc(N)c(C(=O)c2cccc(F)c2)s1)C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.60
CDK5R1 Q15078 10/20 0.60
CCNA2 P20248 9/20 0.46
CDK2 P24941 9/20 0.46
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 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
SCHEMBL3384258 0.87 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL3384727 0.84 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2KDM4E
SCHEMBL6195580 0.83 CDK5 (0.40) CDK5CDK5R1CCNA2CDK2
SCHEMBL6198783 0.78 CDK5 (0.45) CDK5CDK5R1CCNA2CDK2
SCHEMBL3386063 0.76 CDK2 (0.43) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL6196519 0.76 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL3384302 0.75 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2TP53
SCHEMBL3388436 0.74 CDK5 (0.80) CDK5CDK5R1CCNA2CDK2
SCHEMBL3388457 0.70 CDK5 (0.83) CDK5CDK5R1CCNA2CDK2KDM4E
SCHEMBL16825641 0.70 SLC6A2 (0.45) ALDH1A1

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 11 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
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
US-20060014958-A1 4-Aminothiazole derivatives CHEN LI 2006-01-19 US disclosed
WO-2006005508-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-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-20060014958-A1 4-Aminothiazole derivatives CDK4, CDK2, CCNI CDK5 19/4885CDK5R1 49/4885CCNA2 30/4885

“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.