SCHEMBL5213819

SCHEMBL5213819

CCc1cnc(CSc2cnc(NC(C)=O)s2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 18/20 1.00
CCNE1 P24864 18/20 1.00
CDK2 P24941 18/20 1.00
CDK4 P11802 13/20 1.00
CCND1 P24385 13/20 1.00
CCNB2 O95067 10/20 1.00
CDK1 P06493 10/20 1.00
CCNB1 P14635 10/20 1.00
CCNB3 Q8WWL7 10/20 1.00
CCND3 P30281 3/20 0.71
CCND2 P30279 1/20 0.71
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
CDK6 Q00534 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53

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
SCHEMBL14040956 0.91 CCNE2 (0.83) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5213493 0.89 CCNE2 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14394597 0.87 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14394613 0.85 CDK2 (0.73) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5212998 0.85 CDK2 (0.74) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL6695938 0.84 CCNE2 (0.76) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14394714 0.83 CCNE2 (0.71) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4734684 0.83 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14373665 0.82 CDK2 (0.76) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14394461 0.81 CCNE2 (0.73) CCNE2CCNE1CDK2CDK4CCND1

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-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 EP claimed
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US 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-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 (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-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D CCNE2 1725/4885CCNE1 770/4885CDK2 109/4885
US-20020137778-A1 Aminothiazole inhibitors of cyclin dependent kinases CCNI, CDK1, CCNK CCNE2 14/4885CCNE1 5/4885CDK2 6/4885

“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.