Sugi Predict

Sugi Predict / Compounds / SCHEMBL5216840

SCHEMBL5216840

SCHEMBL5216840

CC(=O)Nc1ncc(SC(C)=O)s1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.67
▸ CDK2 P24941 18/20 0.67
▸ CDK4 P11802 10/20 0.67
▸ CDK1 P06493 8/20 0.67
▸ CCNE2 O96020 16/20 0.56
▸ CCND1 P24385 9/20 0.56
▸ CCNB2 O95067 7/20 0.56
▸ CCNB1 P14635 7/20 0.56
▸ CCNB3 Q8WWL7 7/20 0.56
▸ CCND2 P30279 1/20 0.51
▸ CCND3 P30281 1/20 0.51
▸ CDK5 Q00535 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL9096131 0.86 CCNE1 (0.61) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL16731888 0.80 CCNE1 (0.68) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL5215449 0.79 CCNE1 (0.55) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL27479700 0.79 CCNE1 (0.58) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL7514412 0.79 CCNE1 (0.89) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL9048641 0.78 CCNE1 (0.54) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL2666164 0.78 CCNE1 (0.69) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL9048380 0.76 CCNE1 (0.56) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL9426322 0.76 CCNE1 (0.53) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL13639769 0.75 CCNE1 (0.70) CCNE1CDK2CDK4CDK1CCNE2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 — — EP disclosed
EP-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 — — EP disclosed
EP-1303514-B9 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2006-11-08 — — EP disclosed
EP-1303514-B1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL MYERS SQUIBB CO (US) 2005-07-20 — — EP disclosed
US-6897321-B2 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) BRISTON MYERS SQUIBB COMPANY (US) 2005-05-24 — — US disclosed
US-20040063767-A1 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) CHEN BANG-CHI (US) 2004-04-01 — — US disclosed
US-6639074-B2 Reacting an alpha -substituted ketone with a cyclic alkylenetetramine in solvent(s) to form a quaternary ammonium salt; reacting with acid in solvent(s) form an alpha -amino ketone; reacting with acyl derivative; dehydrating BRISTOL MYERS SQUIBB COMPANY 2003-10-28 — — US disclosed
EP-1303514-A1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES Bristol-Myers Squibb Company (US) 2003-04-23 — — EP disclosed
US-6521759-B2 Anticancer, antiarthritic, and antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 — — US disclosed
EP-1042307-A4 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2003-01-29 — — EP disclosed
EP-1240153-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES Bristol-Myers Squibb Company (US) 2002-09-18 — — EP disclosed
US-20020099217-A1 Process for preparing azacycloalkanoylaminothiazoles CHEN BANG-CHI (US) 2002-07-25 — — US disclosed
US-6414156-B2 EFFICENT, NOTOXIC PROCESS OF MAKING NEW KEY INTERMEDIATE QUATERNARY AMMONIUM SALTS AND 2-OXAZOLYLALKYL SULFIDE DERIVATIVES AND AVOIDS THE REACTION OF A-HALOKETONES WITH AN AZIDE FOLLOWED BY REDUCING THE RESULTING A-AMINOKETONE BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 — — US disclosed
WO-2002010163-A1 PROCESS FOR PREPARING AZACYCLOALKANOYLAMINOTHIAZOLES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 — — WO disclosed
US-6262096-B1 IN COMBINATION WITH A MODULATOR OF P53 TRANSACTIVATION FORMULATED AS A FIXED DOSE. BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 — — US disclosed
US-20010006976-A1 Process for preparing azacycloalkanoylaminothiazoles BRISTOL-MYERS SQUIBB COMPANY 2001-07-05 — — US disclosed
WO-2001044217-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 — — WO disclosed
EP-1042307-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 — — EP disclosed
US-6040321-A ENZYME INHIBITOR TREATING CANCER, INFLAMMATION AND ARTHRITIS, NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, CARDIOVASCULAR DISEASES, VIRAL DISEASES AND FUNGAL DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-21 — — US disclosed
WO-1999024416-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 — — 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 (3 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-20020099217-A1 Process for preparing azacycloalkanoylaminothiazoles CDK9, CDK4, CDK6 CCNE1 31/4885CDK2 15/4885CDK4 2/4885
US-20010006976-A1 Process for preparing azacycloalkanoylaminothiazoles CDK9, CDK4, CDK6 CCNE1 31/4885CDK2 15/4885CDK4 2/4885
US-20040063767-A1 Process for preparing azacycloalkanoylaminothiazoles (LD 137e) CDK9, CDK4, CCNI CCNE1 9/4885CDK2 19/4885CDK4 2/4885

“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.