SCHEMBL4733685

SCHEMBL4733685

CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@@H]3CCCNC3)s2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 1.00
CDK9 P50750 13/20 1.00
CCNE2 O96020 9/20 1.00
CCNE1 P24864 9/20 1.00
CCNT1 O60563 3/20 0.81
CDK1 P06493 2/20 0.81
CCNB1 P14635 2/20 0.81
CDK7 P50613 2/20 0.81
CCNH P51946 2/20 0.81
CIT O14578 1/20 0.81
CASK O14936 1/20 0.81
AURKA O14965 1/20 0.81
GAK O14976 1/20 0.81
DCLK1 O15075 1/20 0.81
MAP3K7 O43318 1/20 0.81
ULK1 O75385 1/20 0.81
RPS6KA5 O75582 1/20 0.81
PAK3 O75914 1/20 0.81
CDKL5 O76039 1/20 0.81
PRKD3 O94806 1/20 0.81

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
SCHEMBL4730239 1.00 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL4731289 1.00 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CCNT1
Hydrochloric Acid SCHEMBL6183632 0.99 CDK2 (0.98) CDK2CDK9CCNE2CCNE1CCNT1
Hydrochloric Acid SCHEMBL6183623 0.99 CDK2 (0.98) CDK2CDK9CCNE2CCNE1CCNT1
Hydrochloric Acid SCHEMBL6183918 0.99 CDK2 (0.98) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL6911788 0.91 CDK2 (0.83) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL6911525 0.91 CDK2 (0.83) CDK2CDK9CCNE2CCNE1CCNT1
Bms-387032 SCHEMBL187401 0.90 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CCNT1
SCHEMBL14067131 0.89 CDK2 (0.82) CDK2CDK9CCNE2CCNE1CCNT1
Bms-387032 SCHEMBL20583046 0.89 CDK2 (0.98) CDK2CDK9CCNE2CCNE1CCNT1

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-1568368-A1 Pharmaceutical combination comprising a CDK inhibitor and a VEGF receptor inhibitor SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-31 EP claimed
EP-1240166-B1 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP claimed
EP-1429764-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2004-06-23 EP claimed
US-20030114504-A1 Compositions and methods for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
EP-1303513-A1 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL] CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES Bristol-Myers Squibb Company (US) 2003-04-23 EP claimed
US-6534531-B2 Thiazole derivatives BRISTOL-MYERS SQUIBB COMPANY 2003-03-18 US claimed
WO-2003020272-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-13 WO claimed
EP-1282419-A2 METHODS FOR PREVENTING AND TREATING ALOPECIA INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-12 EP claimed
US-6515004-B1 Useful in the treatment of Alzheimer's disease, chemotherapy-induced alopecia, and cardiovascular disease BRISTOL-MYERS SQUIBB COMPANY 2003-02-04 US claimed
EP-1240166-A1 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-18 EP claimed
US-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy BRISTOL-MYERS SQUIBB COMPANY 2002-05-23 US claimed
WO-2002010162-A1 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL] CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-02-07 WO claimed
WO-2001044242-A9 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL]CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2001-11-08 WO claimed
WO-2001080813-A2 METHODS FOR PREVENTING AND TREATING ALOPECIA INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO claimed
WO-2001044242-A1 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL]CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO claimed
US-20080188524-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-08-07 US disclosed
WO-2001044242-A9 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL]CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2001-11-08 WO disclosed
WO-2001044242-A1 N-[5-[[[5-ALKYL-2-OXAZOLYL]METHYL]THIO]-2-THIAZOLYL]CARBOXAMIDE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 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 CDK2 4/4885CDK9 18/4885CCNE2 84/4885
US-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy NR5A1, CYP17A1, CYP21A2 CDK2 2778/4885CDK9 3861/4885CCNE2 1200/4885
US-20030114504-A1 Compositions and methods for the treatment of cancer CDK4, CDK2, PLK1 CDK2 2/4885CDK9 84/4885CCNE2 414/4885

“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.