SCHEMBL6183055

SCHEMBL6183055

CCN(CC)CCOc1ccc(Nc2nc(N)c(C(=O)c3ccc(O)c(F)c3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NPC1 O15118 3/20 0.55
TUBB8B A6NNZ2 1/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
SPHK2 Q9NRA0 1/20 0.54
SPHK1 Q9NYA1 1/20 0.54
CCNA2 P20248 7/20 0.50
CDK2 P24941 7/20 0.50
CDK5 Q00535 5/20 0.49
CDK5R1 Q15078 5/20 0.49

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
SCHEMBL6180816 0.90 TUBB8B (0.64) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6180471 0.84 ZAP70 (0.78) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6183608 0.83 MEN1 (0.57) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6192039 0.82 MEN1 (0.52) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6183246 0.82 ZAP70 (0.62) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6181213 0.82 ZAP70 (0.53) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6180970 0.81 ZAP70 (0.55) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6184400 0.80 ZAP70 (0.51) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6181918 0.79 ZAP70 (0.57) ZAP70MEN1KMT2ANPC1TUBB8B
SCHEMBL6184653 0.79 MEN1 (0.48) ZAP70MEN1KMT2ANPC1TUBB8B

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 10 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 claimed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP claimed
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 claimed
US-20040006058-A1 DIAMINOTHIAZOLES CHU XIN-JIE (US) 2004-01-08 US claimed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO claimed
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 ZAP70 1633/4885MEN1 1597/4885KMT2A 518/4885

“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.