SCHEMBL2955015

SCHEMBL2955015

CCCCN(CCCC)c1ccnc(NCCN)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 3/20 0.46
CXCR4 P61073 1/20 0.44
HRH4 Q9H3N8 3/20 0.41
TLR8 Q9NR97 1/20 0.38
MERTK Q12866 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
MAPK8 P45983 1/20 0.36
CCR4 P51679 3/20 0.34
UTS2R Q9UKP6 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
STK17A Q9UEE5 1/20 0.33
FERMT2 Q96AC1 1/20 0.33
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
GAS6 Q14393 1/20 0.32

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
SCHEMBL1089789 0.94 DNM2 (0.42) DNM2CXCR4HRH4TLR8MERTK
SCHEMBL2951597 0.88 DNM2 (0.45) DNM2CXCR4HRH3CCR4MKNK1
SCHEMBL1090836 0.83 CXCR4 (0.40) DNM2CXCR4HRH4MERTKHRH3
SCHEMBL2947792 0.83 CXCR4 (0.41) DNM2CXCR4HRH4HRH3CCR4
SCHEMBL2947401 0.82 CXCR4 (0.43) DNM2CXCR4HRH4HRH3MKNK1
SCHEMBL2951032 0.82 CXCR4 (0.43) DNM2CXCR4HRH4HRH3MKNK1
SCHEMBL1091327 0.77 CXCR4 (0.43) DNM2CXCR4HRH4HRH3FERMT2
SCHEMBL2955098 0.74 CHRM2 (0.54) DNM2CXCR4MKNK1
SCHEMBL9932990 0.73 HRH3 (0.45) DNM2CXCR4HRH4HRH3MKNK1
SCHEMBL14228958 0.71 UTS2R (0.38) DNM2TLR8HRH3UTS2R

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 5 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-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 DNM2 4429/4885CXCR4 1/4885HRH4 130/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 DNM2 4429/4885CXCR4 1/4885HRH4 130/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 DNM2 4429/4885CXCR4 1/4885HRH4 130/4885

“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.