SCHEMBL243053

SCHEMBL243053

COC(=O)c1ccc(COc2ccc(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)cc2C)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 10/20 0.52
MAPK14 Q16539 10/20 0.52
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2904542 0.92 MAPK11 (0.52) MAPK11MAPK14NPC1RAB9AMAPK13
SCHEMBL239703 0.90 NPC1 (0.56) MAPK11MAPK14HPGDNPC1RAB9A
SCHEMBL239890 0.82 BRD4 (0.61) MAPK11MAPK14ALDH1A1MAPK13MAPK12
SCHEMBL2902012 0.82 LMNA (0.54) MAPK11MAPK14NPC1RAB9AMAPT
SCHEMBL243632 0.78 MAPK11 (0.50) MAPK11MAPK14MAPK13MAPK12
SCHEMBL243394 0.78 MAPK14 (0.58) MAPK11MAPK14
SCHEMBL242779 0.78 KMT2A (0.55) MAPK11MAPK14HPGDALDH1A1MAPT
SCHEMBL243655 0.77 MAPK14 (0.51) MAPK11MAPK14MAPK13MAPK12
SCHEMBL244250 0.76 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12
SCHEMBL244690 0.76 BRD4 (0.60) MAPK11MAPK14HPGDALDH1A1NPC1

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 10 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
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 US claimed
EP-1699766-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP claimed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 US 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-B1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2010-08-11 EP disclosed
US-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors ASTRAZENECA AB (SE) 2007-06-14 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 (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 MAPK11 2179/4885MAPK14 1549/4885HPGD 1101/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK11 2262/4885MAPK14 1594/4885HPGD 815/4885
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK11 2262/4885MAPK14 1594/4885HPGD 815/4885

“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.