SCHEMBL6181081

SCHEMBL6181081

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(N=C=S)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
ALOX5AP P20292 3/20 0.45
FEN1 P39748 1/20 0.45
CHEK2 O96017 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
OPRD1 P41143 1/20 0.41
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6192737 1.00 GPR119 (0.46) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL6535308 0.85 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL4326309 0.85 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL6535548 0.85 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL2889380 0.85 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL14045135 0.85 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL6535537 0.85 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL4314692 0.85 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL6195438 0.84 ALOX5AP (0.52) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL604147 0.84 FPR3 (0.51) GPR119ALOX5APFEN1CHEK2HRH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100400041-C Diaminothiazoles useful as selective inhibitors of CDK4 HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed
CN-1652780-A Diaminothiazoles used as CDK4 inhibitors HOFFMANN LA ROCHE (CH) 2005-08-10 CN disclosed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
US-6818663-B2 AS INHIBITORS OF CYCLIN-DEPENDENT KINASE 4 (CDK4); ANTIPROLIFERATIVE AGENTS; FOR THERAPY OF CANCER, TUMORS HOFFMANN-LA ROCHES 2004-11-16 US disclosed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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-20040006058-A1 DIAMINOTHIAZOLES CDK4, CDK1, CDK2 GPR119 2534/4885ALOX5AP 3707/4885FEN1 2839/4885

“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.