SCHEMBL239890

SCHEMBL239890

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.61
MAPK11 Q15759 13/20 0.55
MAPK14 Q16539 13/20 0.55
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
RIPK2 O43353 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL244690 0.91 BRD4 (0.60) BRD4MAPK11MAPK14MEN1ALDH1A1
SCHEMBL244207 0.91 BRD4 (0.58) BRD4MAPK11MAPK14MAPK13MAPK12
SCHEMBL243675 0.91 BRD4 (0.58) BRD4MAPK11MAPK14MAPK13MAPK12
SCHEMBL242627 0.89 CTDSP1 (0.58) BRD4MAPK11MAPK14RIPK2MEN1
SCHEMBL243394 0.87 MAPK14 (0.58) MAPK11MAPK14
SCHEMBL242057 0.87 HDAC1 (0.58) BRD4MAPK11MAPK14RIPK2MEN1
SCHEMBL2904542 0.85 MAPK11 (0.52) BRD4MAPK11MAPK14MAPK13MAPK12
SCHEMBL243632 0.84 MAPK11 (0.50) MAPK11MAPK14MAPK13MAPK12
SCHEMBL243655 0.82 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12
SCHEMBL244338 0.82 MAPK14 (0.55) BRD4MAPK11MAPK14MAPK13MAPK12

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-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2013-02-07 US claimed
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP claimed
JP-2007516979-A 2007-06-28 JP claimed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 US claimed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 EP claimed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS ASTRAZENECA AB (SE) 2005-07-07 WO claimed
US-8742124-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2014-06-03 US disclosed
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2013-02-07 US disclosed
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 US disclosed
US-7943776-B2 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASRAZENECA AB (SE) 2011-05-17 US disclosed
EP-1699766-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061465-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTO KINE INHIBITORS ASTRAZENECA AB (SE) 2005-07-07 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-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors IL2, IL6, IL1B BRD4 810/4885MAPK11 2179/4885MAPK14 1549/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B BRD4 913/4885MAPK11 2262/4885MAPK14 1594/4885
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B BRD4 913/4885MAPK11 2262/4885MAPK14 1594/4885

“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.