SCHEMBL3301163

SCHEMBL3301163

Cc1cc(C)c(CNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1H O95180 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1C Q13936 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
NAMPT P43490 1/20 0.39
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
AAK1 Q2M2I8 3/20 0.38
KCNA5 P22460 1/20 0.38
BRD4 O60885 1/20 0.38
SSTR4 P31391 1/20 0.37
PDPK1 O15530 1/20 0.36
NSD2 O96028 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL21473817 0.85 NNMT (0.43) KDM4AL3MBTL1CACNA1HCACNA1BCACNA1C
SCHEMBL28115513 0.85 CACNA1H (0.51) KDM4AL3MBTL1CACNA1HCACNA1BCACNA1C
SCHEMBL14036623 0.78 KDM4A (0.44) KDM4AL3MBTL1CACNA1HCACNA1BCACNA1C
SCHEMBL16181507 0.77 NAMPT (0.49) KDM4AL3MBTL1KDM4ELMNANAMPT
SCHEMBL15171404 0.77 NPC1 (0.52) KDM4AL3MBTL1KDM4EKCNA5POLB
SCHEMBL1632519 0.75 L3MBTL1 (0.53) L3MBTL1NAMPTBRD4
SCHEMBL18878472 0.75 LMNA (0.51) KDM4ALMNAMAPKAPK2
SCHEMBL18044521 0.75 STK17B (0.42) KDM4AL3MBTL1CACNA1HCACNA1BCACNA1C
SCHEMBL5015072 0.75 NPC1 (0.54) KDM4AL3MBTL1LMNAKCNA5
SCHEMBL23997640 0.74 IDO1 (0.52) KDM4AKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-8592581-B2 Trisubstituted purine derivatives CYCLACEL LIMITED (GB) 2013-11-26 US disclosed
EP-2139893-B1 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES CYCLACEL LTD (GB) 2013-06-19 EP disclosed
US-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2010-06-10 US disclosed
US-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2010-06-10 US disclosed
US-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2010-06-10 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 EP disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122779-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2008-10-16 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 KDM4A 2237/4885L3MBTL1 2987/4885CACNA1H 4070/4885
US-20100143350-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CDK4, CDK2, CDK3 KDM4A 1404/4885L3MBTL1 3630/4885CACNA1H 4627/4885

“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.