SCHEMBL240219

SCHEMBL240219

Cc1cccc(C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 16/20 0.65
MAPK14 Q16539 16/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
MAPK1 P28482 1/20 0.61
MAPK13 O15264 3/20 0.57
MAPK12 P53778 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57

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
SCHEMBL241982 0.90 HDAC1 (0.68) MAPK11MAPK14MAPK13MAPK12
SCHEMBL240047 0.89 MAPK11 (0.64) MAPK11MAPK14MAPK13MAPK12
SCHEMBL11806 0.86 NPC1 (0.85) NPC1RAB9AMAPK1MEN1KMT2A
SCHEMBL239704 0.85 MAPK14 (0.65) MAPK11MAPK14NPC1MEN1KMT2A
SCHEMBL243751 0.84 MAPK11 (0.70) MAPK11MAPK14MAPK13MAPK12
SCHEMBL1752529 0.83 MAPK11 (0.61) MAPK11MAPK14MAPK13MAPK12
SCHEMBL239606 0.83 MAPK11 (0.67) MAPK11MAPK14MAPK13MAPK12
SCHEMBL1751330 0.83 MAPK11 (0.70) MAPK11MAPK14MAPK13MAPK12
SCHEMBL12676759 0.82 MAPK11 (0.65) MAPK11MAPK14MAPK13MAPK12
SCHEMBL23573447 0.82 NPC1 (0.78) NPC1RAB9AMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2012-01-05 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 (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-20070135440-A1 Amide derivatives bearing a cyclopropylaminoacarbonyl substituent useful as cytokine inhibitors IL2, IL6, IL1B MAPK11 2179/4885MAPK14 1549/4885NPC1 1456/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK11 2262/4885MAPK14 1594/4885NPC1 1433/4885

“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.