SCHEMBL1089196

SCHEMBL1089196

O=C(c1ccc2ccccc2c1)N1CCCC(N2CCC(Nc3nccc(N4CCCCCC4)n3)C2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.49
CCNK O75909 2/20 0.49
CDK12 Q9NYV4 2/20 0.49
CXCR4 P61073 1/20 0.49
MAPK10 P53779 12/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK8 P45983 5/20 0.46
MAPK9 P45984 5/20 0.46
MAP2K4 P45985 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
MAP2K6 P52564 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
MOK Q9UQ07 1/20 0.45

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
SCHEMBL1088594 0.97 CCNK (0.51) LCKCCNKCDK12CXCR4MAPK10
SCHEMBL1091012 0.96 CCNK (0.50) LCKCCNKCDK12CXCR4MAPK10
SCHEMBL1089249 0.92 CXCR4 (0.50) LCKCCNKCDK12CXCR4MAPK10
SCHEMBL1089722 0.91 CXCR4 (0.55) CCNKCDK12CXCR4MAPK10POLB
SCHEMBL1090183 0.89 L3MBTL3 (0.51) LCKCCNKCDK12CXCR4MAPK10
SCHEMBL1090792 0.88 CCNK (0.48) CCNKCDK12CXCR4MAPK10
SCHEMBL1090686 0.88 HTT (0.48) CCNKCDK12CXCR4MEN1POLB
SCHEMBL1090094 0.88 ALDH1A1 (0.48) CCNKCDK12CXCR4MEN1KMT2A
SCHEMBL1091000 0.88 L3MBTL3 (0.51) LCKCCNKCDK12CXCR4MAPK10
SCHEMBL1089125 0.87 CDK12 (0.55) CCNKCDK12CXCR4KMT2A

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 LCK 199/4885CCNK 793/4885CDK12 2526/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 LCK 199/4885CCNK 793/4885CDK12 2526/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 LCK 199/4885CCNK 793/4885CDK12 2526/4885

“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.