SCHEMBL1091003

SCHEMBL1091003

CN(C)CCNc1nc(N)ncc1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
TLR8 Q9NR97 2/20 0.38
DNM2 P50570 1/20 0.38
TBK1 Q9UHD2 3/20 0.37
HRH4 Q9H3N8 1/20 0.36
SRC P12931 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NUDT1 P36639 1/20 0.34
GAA P10253 1/20 0.34
ALPG P10696 1/20 0.34
TOP2A P11388 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
IKBKE Q14164 1/20 0.33
BRSK2 Q8IWQ3 1/20 0.33
AURKB Q96GD4 1/20 0.33
MKNK1 Q9BUB5 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
SCHEMBL1090160 0.99 HRH3 (0.44) HRH3ALOX5APFEN1TLR8DNM2
SCHEMBL1089442 0.99 HRH3 (0.44) HRH3ALOX5APFEN1TLR8DNM2
SCHEMBL1091018 0.82 TBK1 (0.42) ALOX5APFEN1DNM2TBK1HRH4
SCHEMBL1091252 0.79 HRH3 (0.42) HRH3ALOX5APFEN1TLR8DNM2
SCHEMBL1091293 0.77 HRH3 (0.41) HRH3SRCGAAALPGTOP2A
SCHEMBL20219634 0.76 TLR7 (0.37) FEN1TBK1TLR7L3MBTL1NUDT1
SCHEMBL604272 0.75 DNM2 (0.38) HRH3TLR8DNM2HRH4SRC
SCHEMBL21299996 0.73 L3MBTL1 (0.37) ALOX5APFEN1TLR8TBK1TLR7
SCHEMBL29989291 0.71 TBK1 (0.43) TBK1TOP2ACDK2MARK3IKBKE
SCHEMBL1318378 0.68 TDO2 (0.44) ALOX5APFEN1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 EP 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH3 94/4885ALOX5AP 767/4885FEN1 2054/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH3 94/4885ALOX5AP 767/4885FEN1 2054/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH3 94/4885ALOX5AP 767/4885FEN1 2054/4885

“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.