SCHEMBL1090882

SCHEMBL1090882

COc1cccc(CC(=O)N2CCC(N3CCCCC(Nc4nccc(N5CCCCCC5)n4)C3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
CXCR4 P61073 1/20 0.47
IGF1R P08069 2/20 0.43
ALK Q9UM73 2/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
SYK P43405 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
IDH1 O75874 1/20 0.43
MAPK10 P53779 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL1090900 0.98 POLB (0.51) POLBCXCR4IGF1RALKCCNC
SCHEMBL1090082 0.96 POLB (0.49) POLBCXCR4IGF1RALKCCNC
SCHEMBL1090721 0.93 POLB (0.51) POLBCXCR4IGF1RALKCCNC
SCHEMBL1091303 0.92 POLB (0.52) POLBCXCR4IGF1RALKCCNC
SCHEMBL1090930 0.91 HPGD (0.48) CXCR4IGF1RALKCCNCCDK8
SCHEMBL1091032 0.89 HPGD (0.48) CXCR4IGF1RALKCCNCCDK8
SCHEMBL1090690 0.89 POLB (0.52) POLBCXCR4IGF1RALKCCNC
SCHEMBL1090824 0.88 CXCR4 (0.58) CXCR4IDH1HRH4
SCHEMBL1090683 0.87 ALDH1A1 (0.48) CXCR4CCNCCDK8MAPK10HRH4
SCHEMBL1090311 0.87 HPGD (0.49) CXCR4IGF1RALKCCNCCDK8

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 POLB 2376/4885CXCR4 1/4885IGF1R 2876/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 POLB 2376/4885CXCR4 1/4885IGF1R 2876/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 POLB 2376/4885CXCR4 1/4885IGF1R 2876/4885

“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.