SCHEMBL3384258

SCHEMBL3384258

CS(=O)(=O)N(c1nc(N)c(C(=O)c2c(F)cccc2F)s1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.44
CDK5R1 Q15078 5/20 0.44
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
CDK6 Q00534 3/20 0.40
CDK11A Q9UQ88 3/20 0.40
CDK2 P24941 6/20 0.38
CDK1 P06493 2/20 0.38
CCNA2 P20248 2/20 0.37
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
RORB Q92753 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL6195580 0.95 CDK5 (0.40) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6198783 0.90 CDK5 (0.45) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL3384838 0.87 CDK5 (0.60) CDK5CDK5R1CDK2CCNA2MEN1
SCHEMBL6196519 0.87 CDK5 (0.42) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL3386063 0.84 CDK2 (0.43) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL3384727 0.81 CDK5 (0.42) CDK5CDK5R1CDK2CCNA2MEN1
SCHEMBL3835328 0.79 CDK2 (0.46) CDK5CDK5R1CDK4CCND1CDK9
SCHEMBL6409882 0.78 CDK5 (0.34) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL3522557 0.77 CDK2 (0.54) CDK5CDK5R1CDK4CCND1CDK9
SCHEMBL6199289 0.75 CDK5 (0.37) CDK5CDK5R1CDK4CCND1CCNT1

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
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
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
EP-1597256-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use PFIZER INC. 2005-05-12 US disclosed
WO-2004074283-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2004-09-02 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 (2 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 49/4885CDK4 1/4885
US-20050101595-A1 N-containing cycloalkyl-substituted amino-thiazole derivatives and pharmaceutical compositions for inhibiting cell proliferation and methods for their use CCNI, MKI67, TK1 CDK5 10/4885CDK5R1 125/4885CDK4 78/4885

“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.