Sugi Predict

Sugi Predict / Compounds / SCHEMBL6181787

SCHEMBL6181787

SCHEMBL6181787

CC(Oc1ccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)cc1)C1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 5/20 0.59
▸ CDK2 P24941 5/20 0.59
▸ CDK5 Q00535 11/20 0.59
▸ CDK5R1 Q15078 11/20 0.59
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ZAP70 P43403 1/20 0.51
▸ CDK4 P11802 1/20 0.49
▸ CCND1 P24385 1/20 0.49
▸ MAPT P10636 1/20 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
SCHEMBL6181795 1.00 CCNA2 (0.59) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6179401 0.91 CDK5 (0.51) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6179405 0.91 CDK5 (0.51) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6181893 0.90 CDK5 (0.50) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6182925 0.90 CDK5 (0.50) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6181449 0.89 ZAP70 (0.53) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6181454 0.89 ZAP70 (0.53) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6181680 0.88 MEN1 (0.51) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6181682 0.88 MEN1 (0.51) CCNA2CDK2CDK5CDK5R1MEN1
SCHEMBL6181161 0.83 CDK5 (0.61) CCNA2CDK2CDK5CDK5R1MEN1

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 12 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
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 CCNA2 35/4885CDK2 3/4885CDK5 20/4885

“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.