SCHEMBL6181996

SCHEMBL6181996

CC(C)NCCOc1ccc(Nc2nc(N)c(C(=O)c3ccc4c(c3)OCCO4)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.60
CCND1 P24385 2/20 0.60
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 3/20 0.52
TUBB8B A6NNZ2 1/20 0.52
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
ZAP70 P43403 1/20 0.52
CDK5 Q00535 5/20 0.48
CDK5R1 Q15078 5/20 0.48

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
SCHEMBL6181344 0.95 CDK4 (0.54) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6181674 0.89 CDK4 (0.61) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6181358 0.87 CDK4 (0.62) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6192496 0.84 ZAP70 (0.55) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6181525 0.83 CDK4 (0.66) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6190056 0.82 RAB9A (0.57) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6181424 0.81 ZAP70 (0.53) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6194144 0.80 CDK4 (0.58) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL6192914 0.79 CDK4 (0.61) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL18411025 0.78 MAPT (0.63) CDK4CCND1MEN1KMT2ANPC1

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 CDK4 1/4885CCND1 43/4885MEN1 1597/4885

“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.