SCHEMBL4731497

SCHEMBL4731497

CCc1coc(CSc2cnc(NC(C)=O)s2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 1.00
CCNE1 P24864 18/20 1.00
CCNE2 O96020 17/20 1.00
CDK4 P11802 11/20 0.67
CCND1 P24385 10/20 0.67
CDK1 P06493 9/20 0.67
CCNB2 O95067 8/20 0.67
CCNB1 P14635 8/20 0.67
CCNB3 Q8WWL7 8/20 0.67
CCND2 P30279 1/20 0.60
CCND3 P30281 1/20 0.60
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
ITK Q08881 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
SCHEMBL5213819 0.80 CCNE2 (1.00) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL4991701 0.78 CCNE1 (1.00) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL16731888 0.77 CCNE1 (0.68) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL6695938 0.76 CCNE2 (0.76) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL14040956 0.76 CCNE2 (0.83) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL4734684 0.75 CCNE2 (1.00) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL5213493 0.74 CCNE2 (0.80) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL7514412 0.73 CCNE1 (0.89) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL2666164 0.72 CCNE1 (0.69) CDK2CCNE1CCNE2CDK4CCND1
SCHEMBL9096131 0.70 CCNE1 (0.61) CDK2CCNE1CCNE2CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188524-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-08-07 US claimed
WO-2008049856-A2 METHODS OF TREATING PAIN USING CDK INHIBITORS INGENIUM PHARMACEUTICALS GMBH (DE) 2008-05-02 WO claimed
EP-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 EP claimed
EP-1042307-A4 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2003-01-29 EP claimed
US-20020137778-A1 Aminothiazole inhibitors of cyclin dependent kinases KIM KYOUNG S (US) 2002-09-26 US claimed
EP-1240153-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES Bristol-Myers Squibb Company (US) 2002-09-18 EP claimed
WO-2001044217-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO claimed
EP-1042307-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP claimed
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 claimed
WO-1999024416-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO claimed
US-20080188524-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-08-07 US disclosed
WO-2008049856-A2 METHODS OF TREATING PAIN USING CDK INHIBITORS INGENIUM PHARMACEUTICALS GMBH (DE) 2008-05-02 WO disclosed
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-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 (2 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-20080188524-A1 Methods of treating pain CDK3, CDK1, CDK5 CDK2 4/4885CCNE1 137/4885CCNE2 84/4885
US-20020137778-A1 Aminothiazole inhibitors of cyclin dependent kinases CCNI, CDK1, CCNK CDK2 6/4885CCNE1 5/4885CCNE2 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.