SCHEMBL580070

SCHEMBL580070

CCc1cc(C)cc(CC)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 3/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP10 Q53GL7 1/20 0.36
CYP3A4 P08684 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
PLA2G2A P14555 1/20 0.35
TPMT P51580 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2850885 0.82 MEN1 (0.47) POLBMEN1KMT2APARP1SIGMAR1
SCHEMBL3715656 0.80 PARP1 (0.41) POLBMEN1KMT2ACYP1A2PARP1
SCHEMBL28268711 0.79 KDM4E (0.50) MEN1KMT2AKDM4EL3MBTL1CYP3A4
SCHEMBL13504652 0.77 KDM4E (0.37) POLBPARP1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL457470 0.76 KDM4E (0.40) MEN1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL11763098 0.76 KDM4E (0.36) MEN1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL15341175 0.76 KDM4E (0.36) MEN1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL14604836 0.75 KDM4E (0.44) POLBLMNAPARP1KDM4EL3MBTL1
SCHEMBL580709 0.74 GABRA1 (0.52) PARP1KDM4EPLA2G2AALDH1A1
SCHEMBL457973 0.74 KDM4E (0.35) MEN1KMT2ALMNAKDM4EL3MBTL1

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
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP claimed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US claimed
EP-2417125-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-15 EP claimed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO claimed
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP disclosed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US disclosed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO disclosed
CN-100497294-C Aromatic diamine derivative, its preparation method and liquid crystal display component alignment film material containing it CHANGXING CHEMICAL INDUSTRY CO (CN) 2009-06-10 CN disclosed
CN-1495156-A Aromatic diamine derivative, its preparation method and liquid crystal display component alignment film material containing it 长兴化学工业股份有限公司 2004-05-12 CN disclosed
CN-1483722-A Aromatic diamine derivative, its preparation method and liquid crystal display component alignment film material containing same 长兴化学工业股份有限公司 2004-03-24 CN disclosed