SCHEMBL5216993

SCHEMBL5216993

CC(=O)Nc1ncc(SCC(=O)OC(C)(C)C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 1.00
CDK2 P24941 20/20 1.00
CCNE2 O96020 19/20 1.00
CDK4 P11802 13/20 1.00
CCND1 P24385 12/20 1.00
CDK1 P06493 11/20 1.00
CCNB2 O95067 10/20 1.00
CCNB1 P14635 10/20 1.00
CCNB3 Q8WWL7 10/20 1.00
CCND2 P30279 1/20 0.56
CCND3 P30281 1/20 0.56

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
SCHEMBL2666164 0.81 CCNE1 (0.69) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL16731888 0.78 CCNE1 (0.68) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL12292 0.74 CCNE1 (0.59) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL9096131 0.74 CCNE1 (0.61) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL13639769 0.73 CCNE1 (0.70) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL12466 0.72 CCNE2 (0.58) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL5214383 0.72 CCNE1 (0.61) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL7992947 0.72 CCNE1 (0.57) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL4734684 0.72 CCNE2 (1.00) CCNE1CDK2CCNE2CDK4CCND1
SCHEMBL5216840 0.71 CCNE1 (0.67) CCNE1CDK2CCNE2CDK4CCND1

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-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 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
US-20020137778-A1 Aminothiazole inhibitors of cyclin dependent kinases KIM KYOUNG S (US) 2002-09-26 US disclosed
EP-1240153-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES Bristol-Myers Squibb Company (US) 2002-09-18 EP 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
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 (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-20020137778-A1 Aminothiazole inhibitors of cyclin dependent kinases CCNI, CDK1, CCNK CCNE1 5/4885CDK2 6/4885CCNE2 14/4885

“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.