SCHEMBL4734684

SCHEMBL4734684

CC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 16/20 1.00
CCNE1 P24864 16/20 1.00
CDK2 P24941 16/20 1.00
CDK4 P11802 11/20 1.00
CCND1 P24385 11/20 1.00
CCNB2 O95067 9/20 1.00
CDK1 P06493 9/20 1.00
CCNB1 P14635 9/20 1.00
CCNB3 Q8WWL7 9/20 1.00
CCND3 P30281 5/20 1.00
CCND2 P30279 2/20 1.00
CDK6 Q00534 4/20 0.73
HDAC3 O15379 3/20 0.73
HDAC4 P56524 3/20 0.73
HDAC1 Q13547 3/20 0.73
HDAC7 Q8WUI4 3/20 0.73
HDAC2 Q92769 3/20 0.73
HDAC10 Q969S8 3/20 0.73
HDAC11 Q96DB2 3/20 0.73
HDAC8 Q9BY41 3/20 0.73

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
SCHEMBL5213503 0.89 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL10111964 0.88 CCNE2 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL12663321 0.87 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3468739 0.87 CCNE2 (0.78) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3467826 0.85 CCNE2 (0.81) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3467568 0.85 CDK2 (0.74) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL25008210 0.85 CDK2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3467014 0.85 CDK2 (0.73) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3467007 0.85 CDK2 (0.73) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4211024 0.85 HDAC3 (1.00) 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 26 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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-9944670-B2 Gemcitabine derivatives, compositions comprising same and pharmaceutical applications thereof Hangzhou Yuanchang Medical Sci-Tech Co., Ltd (CN) 2018-04-17 US disclosed
US-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 US disclosed
US-20080188524-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-08-07 US 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 (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-20080188524-A1 Methods of treating pain CDK3, CDK1, CDK5 CCNE2 84/4885CCNE1 137/4885CDK2 4/4885
US-20120165335-A1 CDK INHIBITORS CDK3, CDK6, CDKL1 CCNE2 50/4885CCNE1 40/4885CDK2 7/4885
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.