SCHEMBL1090265

SCHEMBL1090265

CC(=O)N1CCCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.51
▸ MAPK8 P45983 4/20 0.49
▸ CCNK O75909 2/20 0.48
▸ CDK12 Q9NYV4 2/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ ACACB O00763 1/20 0.44
▸ MAPK10 P53779 7/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ MAPK9 P45984 2/20 0.40
▸ MAPK3 P27361 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
SCHEMBL1089401 0.99 HRH4 (0.49) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1089061 0.99 HRH4 (0.49) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1090258 0.95 CXCR4 (0.51) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1090732 0.90 MAPK8 (0.51) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1091106 0.90 MAPK8 (0.53) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1088799 0.90 MAPK8 (0.51) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1090408 0.90 CCNK (0.52) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1089949 0.90 HRH4 (0.48) HRH4MAPK8CCNKCDK12CXCR4
SCHEMBL1091146 0.90 MAPK10 (0.50) HRH4MAPK8CXCR4MAPK10DGAT2
SCHEMBL1091188 0.90 MAPK10 (0.50) HRH4MAPK8CXCR4MAPK10DGAT2

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 130/4885MAPK8 1753/4885CCNK 793/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH4 130/4885MAPK8 1753/4885CCNK 793/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH4 130/4885MAPK8 1753/4885CCNK 793/4885

“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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