SCHEMBL1090016

SCHEMBL1090016

CCOC(=O)CC(=O)N1CCCC(N2CCC(Nc3nccc(N4CCCCCC4)n3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.47
▸ CCNK O75909 2/20 0.45
▸ CDK12 Q9NYV4 2/20 0.45
▸ MAPK10 P53779 14/20 0.42
▸ MAPK8 P45983 4/20 0.42
▸ MAPK9 P45984 4/20 0.42
▸ GSK3B P49841 4/20 0.42
▸ MAPK14 Q16539 4/20 0.42
▸ HRH4 Q9H3N8 3/20 0.41

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
SCHEMBL1089816 0.97 CCNK (0.47) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1090531 0.96 CCNK (0.46) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1090680 0.94 CXCR4 (0.45) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1090585 0.92 CXCR4 (0.44) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1089699 0.92 CXCR4 (0.48) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1090448 0.90 CCNK (0.46) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1090948 0.90 CXCR4 (0.51) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1090899 0.90 CCNK (0.45) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1089856 0.89 CCNK (0.46) CXCR4CCNKCDK12MAPK10MAPK8
SCHEMBL1090897 0.89 CCNK (0.45) CXCR4CCNKCDK12MAPK10MAPK8

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 CXCR4 1/4885CCNK 793/4885CDK12 2526/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CXCR4 1/4885CCNK 793/4885CDK12 2526/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885CCNK 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.

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