SCHEMBL1011560

SCHEMBL1011560

CCCCCCCCCCc1ncn(CCF)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
CYP19A1 P11511 3/20 0.33
XDH P47989 1/20 0.33
HTR2A P28223 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TBXAS1 P24557 2/20 0.31

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
SCHEMBL1011975 1.00 KDR (0.36) KDRKCNH2ACHEBACE1CYP19A1
SCHEMBL27573009 0.88 KDR (0.42) KDRKCNH2HRH4HRH3TLR8
SCHEMBL1229601 0.86 KDR (0.40) KDRKCNH2TLR8TBXAS1
SCHEMBL28824665 0.83 HTR2A (0.38) KDRKCNH2ACHEBACE1HTR2A
SCHEMBL9036100 0.81 KDR (0.38) KDRKCNH2HRH4HRH3TLR8
SCHEMBL21634173 0.78 LMNA (0.39) KDR
SCHEMBL1011201 0.76
SCHEMBL21634161 0.76 KDR (0.36) KDRKCNH2
SCHEMBL23578174 0.73 KDR (0.41) KDRTLR8TBXAS1
SCHEMBL23578243 0.73 KDR (0.44) KDRTBXAS1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960345-B1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, AND N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORP (US) 2014-11-19 EP claimed
EP-1963253-B1 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORP (US) 2011-01-05 EP claimed
EP-1960344-B1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORP (US) 2010-09-29 EP claimed
EP-1963253-A2 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORPORATION (US) 2008-09-03 EP claimed
EP-1960344-A1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORPORATION (US) 2008-08-27 EP claimed
EP-1960345-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2008-08-27 EP claimed
US-7378554-B2 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts CHEMTURA CORPORATION (US) 2008-05-27 US claimed
WO-2007070264-A1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORPORATION (US) 2007-06-21 WO claimed
WO-2007070282-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2007-06-21 WO claimed
WO-2007070263-A2 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORPORATION (US) 2007-06-21 WO claimed
US-20070135656-A1 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts LANXESS SOLUTIONS US INC. 2007-06-14 US claimed
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same LANXESS SOLUTIONS US INC. 2007-06-14 US claimed
US-7145038-B1 Alkylation of a diphenylamine compound in ionic liquid CHEMTURA CORPORATION (US) 2006-12-05 US claimed
EP-1960345-B1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, AND N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORP (US) 2014-11-19 EP disclosed
EP-1963253-B1 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORP (US) 2011-01-05 EP disclosed
EP-1960344-B1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORP (US) 2010-09-29 EP disclosed
US-7378554-B2 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts CHEMTURA CORPORATION (US) 2008-05-27 US disclosed
US-20070135656-A1 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts LANXESS SOLUTIONS US INC. 2007-06-14 US disclosed
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same LANXESS SOLUTIONS US INC. 2007-06-14 US disclosed
US-7145038-B1 Alkylation of a diphenylamine compound in ionic liquid CHEMTURA CORPORATION (US) 2006-12-05 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 (1 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-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same NAPEPLD, PNN, ACR KDR 3914/4885KCNH2 1424/4885ACHE 602/4885

“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.