SCHEMBL240332

SCHEMBL240332

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(OCc2cn3ccccc3n2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 11/20 0.48
MAPK14 Q16539 11/20 0.48
KIT P10721 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL244257 0.89 KDM4E (0.56) MAPK11MAPK14KITNPC1RAB9A
SCHEMBL243744 0.87 MAPK11 (0.49) MAPK11MAPK14KITNPC1RAB9A
SCHEMBL245081 0.83 MAPK14 (0.56) MAPK11MAPK14
Bromide SCHEMBL242629 0.82 MAPK14 (0.55) MAPK11MAPK14
Hydrochloric Acid SCHEMBL243778 0.82 MAPK14 (0.55) MAPK11MAPK14
SCHEMBL243675 0.82 BRD4 (0.58) MAPK11MAPK14NPC1RAB9AMAPK13
SCHEMBL244089 0.80 MAPK14 (0.53) MAPK11MAPK14
SCHEMBL240246 0.80 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12
SCHEMBL241883 0.79 MAPK14 (0.48) MAPK11MAPK14MAPK13MAPK12
SCHEMBL240229 0.78 MAPK11 (0.48) MAPK11MAPK14MAPK13MAPK12

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 1549/4885KIT 265/4885
US-20120004243-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK11 2262/4885MAPK14 1594/4885KIT 262/4885
US-20130035346-A1 AMIDE DERIVATIVES BEARING A CYCLOPROPYLAMINOACARBONYL SUBSTITUENT USEFUL AS CYTOKINE INHIBITORS IL2, IL6, IL1B MAPK11 2262/4885MAPK14 1594/4885KIT 262/4885

“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.