SCHEMBL4929170

SCHEMBL4929170

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCO)CC3)s2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 1.00
CCNE2 O96020 7/20 1.00
CCNE1 P24864 7/20 1.00
HDAC3 O15379 3/20 0.79
HDAC4 P56524 3/20 0.79
HDAC1 Q13547 3/20 0.79
HDAC7 Q8WUI4 3/20 0.79
HDAC2 Q92769 3/20 0.79
HDAC10 Q969S8 3/20 0.79
HDAC11 Q96DB2 3/20 0.79
HDAC8 Q9BY41 3/20 0.79
HDAC6 Q9UBN7 3/20 0.79
HDAC9 Q9UKV0 3/20 0.79
HDAC5 Q9UQL6 3/20 0.79
CDK9 P50750 12/20 0.73
CDK7 P50613 4/20 0.73
CCNT1 O60563 3/20 0.73
CCNH P51946 3/20 0.73
MNAT1 P51948 2/20 0.73
CCNA1 P78396 2/20 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
SCHEMBL26399636 0.92 CDK2 (0.85) CDK2CCNE2CCNE1HDAC3HDAC4
Hydrochloric Acid SCHEMBL26128863 0.91 CDK2 (0.84) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL6906730 0.91 CDK2 (0.84) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL24758393 0.91 CDK2 (0.83) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL20905302 0.91 CDK2 (1.00) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL14067130 0.91 HDAC3 (0.89) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL26129922 0.90 CDK2 (0.81) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL19475808 0.89 CDK2 (0.81) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL21680378 0.89 HDAC3 (0.82) CDK2CCNE2CCNE1HDAC3HDAC4
SCHEMBL20897371 0.89 HDAC3 (0.86) CDK2CCNE2CCNE1HDAC3HDAC4

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 21 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
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
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
US-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy BRISTOL-MYERS SQUIBB COMPANY 2002-05-23 US claimed
US-20080188524-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-08-07 US disclosed
EP-1568368-A1 Pharmaceutical combination comprising a CDK inhibitor and a VEGF receptor inhibitor SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-31 EP disclosed
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 disclosed
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 disclosed
US-6534531-B2 Thiazole derivatives BRISTOL-MYERS SQUIBB COMPANY 2003-03-18 US disclosed
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 disclosed
US-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy BRISTOL-MYERS SQUIBB COMPANY 2002-05-23 US disclosed
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 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 4/4885CCNE2 84/4885CCNE1 137/4885
US-20020061915-A1 Methods for preventing and treating alopecia induced by chemotherapy or radiotherapy NR5A1, CYP17A1, CYP21A2 CDK2 2778/4885CCNE2 1200/4885CCNE1 1253/4885
US-20030114504-A1 Compositions and methods for the treatment of cancer CDK4, CDK2, PLK1 CDK2 2/4885CCNE2 414/4885CCNE1 345/4885

“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.