SCHEMBL6181833

SCHEMBL6181833

CCN(CCOc1ccc(N=C=S)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK2 Q15119 1/20 0.36
PPARA Q07869 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL6180008 0.94 PPARA (0.39) MEN1KMT2APPARAKDM4EGABRA1
SCHEMBL991641 0.91 MEN1 (0.36) MEN1KMT2APDK2PPARAKDM4E
SCHEMBL6183144 0.84 PDK2 (0.36) KMT2APDK2PPARAKDM4EPOLB
SCHEMBL992923 0.82 BCHE (0.35) PDK2PPARAKDM4EPOLBPPARG
SCHEMBL1284218 0.81 MEN1 (0.41) MEN1KMT2APDK2KDM4EPOLB
SCHEMBL12925102 0.80 TRPM8 (0.36) MEN1KMT2APDK2PPARAKDM4E
SCHEMBL12925100 0.79 PDK2 (0.35) PDK2PPARAKDM4EPOLBPPARG
SCHEMBL6189655 0.78 HSD17B10 (0.43) MEN1KMT2APPARAHSD17B10PPARG
SCHEMBL6181736 0.77 KCNH2 (0.57) KCNH2
SCHEMBL991770 0.76 PDK2 (0.48) PDK2PPARAKDM4EPOLBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507530-B1 DIAMINOTHIAZOLES AND USE THEREOF AS CDK4 INHIBITORS HOFFMANN LA ROCHE (CH) 2005-11-02 EP 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 MEN1 1597/4885KMT2A 518/4885PDK2 91/4885

“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.