SCHEMBL1090551

SCHEMBL1090551

Cc1cccc(S(=O)(=O)N2CCCC(N3CCCC(Nc4nccc(N5CCCCCC5)n4)C3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.44
MAPK1 P28482 1/20 0.44
CXCR4 P61073 1/20 0.44
EPHX2 P34913 1/20 0.41
MAPK8 P45983 5/20 0.40
MAPK9 P45984 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
MAPK10 P53779 3/20 0.37
ALK Q9UM73 2/20 0.37
IGF1R P08069 1/20 0.37
PAX8 Q06710 1/20 0.37
MAP2K4 P45985 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
MAP2K6 P52564 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
MOK Q9UQ07 1/20 0.37

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
SCHEMBL1091383 0.99 HRH4 (0.46) HRH4MAPK1CXCR4EPHX2MAPK8
SCHEMBL1090317 0.97 CXCR4 (0.46) HRH4MAPK1CXCR4EPHX2MAPK8
SCHEMBL1090612 0.93 EPHX2 (0.46) HRH4MAPK1CXCR4EPHX2MAPK8
SCHEMBL1089174 0.91 EPHX2 (0.48) HRH4MAPK1CXCR4EPHX2MAPK8
SCHEMBL1091333 0.90 HRH4 (0.47) HRH4MAPK1CXCR4MAPK8ALK
SCHEMBL1089353 0.90 CXCR4 (0.52) HRH4MAPK1CXCR4MAPK8MAPK9
SCHEMBL1090290 0.89 HRH4 (0.48) HRH4MAPK1CXCR4MAPK8MAPK9
SCHEMBL1089898 0.89 CXCR4 (0.52) HRH4MAPK1CXCR4MAPK8MAPK9
SCHEMBL1090796 0.89 CXCR4 (0.47) HRH4MAPK1CXCR4EPHX2MAPK8
SCHEMBL1090458 0.88 CXCR4 (0.47) HRH4CXCR4MAPK8MAPK9MAPK10

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 HRH4 130/4885MAPK1 1101/4885CXCR4 1/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH4 130/4885MAPK1 1101/4885CXCR4 1/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH4 130/4885MAPK1 1101/4885CXCR4 1/4885

“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.