SCHEMBL239375

SCHEMBL239375

COc1cc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.60
MAPK11 Q15759 15/20 0.60
PTPN7 P35236 2/20 0.51
DUSP3 P51452 2/20 0.51
MAPK13 O15264 3/20 0.51
MAPK12 P53778 3/20 0.51
TACR2 P21452 1/20 0.51
TACR1 P25103 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL241870 0.87 MAPK14 (0.58) MAPK14MAPK11TACR2TACR1MEN1
SCHEMBL239606 0.87 MAPK11 (0.67) MAPK14MAPK11MAPK13MAPK12
SCHEMBL242628 0.83 MAPK11 (0.63) MAPK14MAPK11MAPK13MAPK12
SCHEMBL244356 0.83 MAPK11 (0.63) MAPK14MAPK11MAPK13MAPK12
SCHEMBL9030135 0.83 PTPN7 (0.58) MAPK14PTPN7DUSP3MEN1KMT2A
SCHEMBL243751 0.83 MAPK11 (0.70) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1355760 0.82 SLC22A6 (0.59) MAPK14PTPN7DUSP3MEN1KMT2A
SCHEMBL239704 0.81 MAPK14 (0.65) MAPK14MAPK11MEN1KMT2AALDH1A1
SCHEMBL244690 0.80 BRD4 (0.60) MAPK14MAPK11MEN1KMT2AALDH1A1
SCHEMBL241982 0.80 HDAC1 (0.68) MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 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 MAPK14 1549/4885MAPK11 2179/4885PTPN7 438/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK14 1594/4885MAPK11 2262/4885PTPN7 543/4885
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK14 1594/4885MAPK11 2262/4885PTPN7 543/4885

“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.