SCHEMBL5725308

SCHEMBL5725308

CCC(C)OP(=O)(O)Cc1ncc(C(C)(C)C)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.38
CCNE2 O96020 13/20 0.38
CCNE1 P24864 13/20 0.38
CCNB2 O95067 6/20 0.38
CDK1 P06493 6/20 0.38
CCNB1 P14635 6/20 0.38
CCNB3 Q8WWL7 6/20 0.38
CDK4 P11802 6/20 0.36
CCND1 P24385 6/20 0.36
CCND3 P30281 3/20 0.33
CCND2 P30279 1/20 0.33
KDR P35968 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC4 P56524 2/20 0.30
CDK6 Q00534 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC7 Q8WUI4 2/20 0.30
HDAC2 Q92769 2/20 0.30
HDAC10 Q969S8 2/20 0.30
HDAC11 Q96DB2 2/20 0.30

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
SCHEMBL6787893 0.79 FDPS (0.35)
SCHEMBL20583110 0.77 CDK2 (0.40) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL965302 0.72
SCHEMBL965297 0.70 FBP1 (0.34)
SCHEMBL3135908 0.68 HMGCR (0.52)
SCHEMBL11397478 0.67 EPHX2 (0.35)
SCHEMBL2695840 0.67 ALDH1A1 (0.40)
SCHEMBL4903448 0.66 CYP19A1 (0.41)
SCHEMBL10268216 0.66 CDK2 (0.46) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL1407856 0.65 TRPA1 (0.42)

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-1087951-B9 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
EP-1087951-B1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2005-02-09 EP disclosed
EP-1268472-B1 3-AMINOPYRAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
US-6720347-B2 SUCH AS ETHYL-3-((E)-2-ACETAMIDO-THIAZOL-5-YL)-ACRYLATE FOR TREATMENT OF CANCER, PROLIFERATIVE DISEASES, INFLAMMATION, AND ARTHRITIS BRISTOL-MYERS SQUIBB COMPANY 2004-04-13 US disclosed
US-6610724-B2 Antiproliferative agents; anticancer agents; rheumatic disorders; antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-20030018058-A1 3-aminopyrazole inhibitors of cyclin dependent kinases SALVATI MARK E (US) 2003-01-23 US disclosed
EP-1268472-A1 3-AMINOPYRAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES Bristol-Myers Squibb Company (US) 2003-01-02 EP disclosed
US-6482842-B2 TREATMENT OF PROLIFERATIE DISEASES, INFLAMMATION AND ARTHRITIS BRISTOL-MYERS SQUIBB COMPANY 2002-11-19 US disclosed
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases RAWLINS DAVID B (US) 2002-11-07 US disclosed
US-6407124-B1 ANTICARCINOGENIC, ANTIPROLIFERATIVE, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS; ALZHEIMER*S DISEASE AND CARDIOVASCULAR DISORDER TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2002-06-18 US disclosed
US-20010047019-A1 3-Aminopyrazole inhibitors of cyclin dependent kinases BRISTOL-MYERS SQUIBB COMPANY 2001-11-29 US disclosed
WO-2001057034-A1 3-AMINOPYRAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-08-09 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-20030018058-A1 3-aminopyrazole inhibitors of cyclin dependent kinases CCNI, CDK1, CCNK CDK2 5/4885CCNE2 54/4885CCNE1 32/4885
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases CCNK, CDK2, CCNL2 CDK2 2/4885CCNE2 23/4885CCNE1 12/4885
US-20010047019-A1 3-Aminopyrazole inhibitors of cyclin dependent kinases CCNI, CDK1, CCNK CDK2 5/4885CCNE2 54/4885CCNE1 32/4885

“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.