SCHEMBL4192113

SCHEMBL4192113

CC(C)(C)OC(=O)NC1CCN(c2ncnc3ccsc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.51
ADORA2A P29274 7/20 0.49
ADORA2B P29275 5/20 0.49
ADORA3 P0DMS8 2/20 0.49
PDE10A Q9Y233 2/20 0.49
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44

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
SCHEMBL4198419 0.94 ADRB2 (0.51) MAP4K4ADORA2AADORA2BADORA3PDE10A
SCHEMBL30034133 0.94 ADRB2 (0.51) MAP4K4ADORA2AADORA2BADORA3PDE10A
SCHEMBL24704639 0.81 MAP4K4 (0.54) MAP4K4PDE10ASIRT2SIRT1SIRT3
SCHEMBL29647989 0.81 MAP4K4 (0.54) MAP4K4PDE10ASIRT2SIRT1SIRT3
SCHEMBL23599085 0.81 MAPT (0.55) MAP4K4PDE10ASIRT2SIRT1SIRT3
SCHEMBL16023563 0.80 SIRT2 (0.70) ADRB2ADRB1ADRB3SIRT2SIRT1
SCHEMBL4965612 0.80 MAP4K4 (0.49) MAP4K4PDE10ASIRT2SIRT1SIRT3
SCHEMBL4966752 0.79 ENPP1 (0.56) PDE10A
SCHEMBL13688007 0.79 ADORA2A (0.47) MAP4K4ADORA2AADORA2BADORA3PDE10A
SCHEMBL23599108 0.78 ADORA2A (0.47) ADORA2AADORA2BADORA3PDE10APIM1

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
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
EP-1899355-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP disclosed
EP-1893215-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006135639-A1 THIΞNOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135630-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US 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 (4 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-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 MAP4K4 318/4885ADORA2A 938/4885ADORA2B 745/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 MAP4K4 318/4885ADORA2A 938/4885ADORA2B 745/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 MAP4K4 318/4885ADORA2A 938/4885ADORA2B 745/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 MAP4K4 515/4885ADORA2A 2071/4885ADORA2B 1950/4885

“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.