SCHEMBL1091125

SCHEMBL1091125

O=C(C1CCC1)N1CCCC(N2CCCC(Nc3nccc(N4CCCCCC4)n3)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 16/20 0.50
▸ MAPK8 P45983 9/20 0.49
▸ MAPK9 P45984 8/20 0.48
▸ DGAT2 Q96PD7 1/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ MAP2K4 P45985 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ MAP2K6 P52564 1/20 0.47
▸ MAPK11 Q15759 1/20 0.47
▸ MOK Q9UQ07 1/20 0.47

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
SCHEMBL1090073 0.99 MAPK10 (0.49) MAPK10MAPK8MAPK9DGAT2CXCR4
SCHEMBL1091188 0.98 MAPK10 (0.50) MAPK10MAPK8MAPK9DGAT2CXCR4
SCHEMBL1089360 0.98 MAPK10 (0.50) MAPK10MAPK8MAPK9DGAT2CXCR4
SCHEMBL1090723 0.98 MAPK10 (0.50) MAPK10MAPK8MAPK9DGAT2CXCR4
SCHEMBL1091146 0.98 MAPK10 (0.50) MAPK10MAPK8MAPK9DGAT2CXCR4
SCHEMBL1090923 0.97 MAPK10 (0.53) MAPK10MAPK8MAPK9GSK3BMAPK14
SCHEMBL1091314 0.96 MAPK10 (0.52) MAPK10MAPK8MAPK9GSK3BMAPK14
SCHEMBL1089239 0.96 CXCR4 (0.49) MAPK10MAPK8MAPK9DGAT2CXCR4
SCHEMBL1089022 0.94 CXCR4 (0.49) MAPK10MAPK8MAPK9DGAT2CXCR4
SCHEMBL1090191 0.94 CXCR4 (0.49) MAPK10MAPK8MAPK9DGAT2CXCR4

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 MAPK10 1107/4885MAPK8 1753/4885MAPK9 1319/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 MAPK10 1107/4885MAPK8 1753/4885MAPK9 1319/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 MAPK10 1107/4885MAPK8 1753/4885MAPK9 1319/4885

“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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