Sugi Predict

Sugi Predict / Compounds / SCHEMBL1089063

SCHEMBL1089063

SCHEMBL1089063

c1ccc(-c2n[nH]cc2CN2CCCC(Nc3nccc(N4CCCCCC4)n3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.62
▸ MAPK10 P53779 1/20 0.46
▸ HRH4 Q9H3N8 4/20 0.42
▸ HTR1A P08908 3/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ IDH1 O75874 5/20 0.39
▸ CCNE1 P24864 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ CCNK O75909 2/20 0.37
▸ CDK12 Q9NYV4 2/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CCNH P51946 1/20 0.37
▸ MNAT1 P51948 1/20 0.37

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
SCHEMBL1089371 0.96 CXCR4 (0.69) CXCR4MAPK10HRH4EHMT2IDH1
SCHEMBL1090381 0.93 CXCR4 (0.59) CXCR4MAPK10HRH4HTR1AIDH1
SCHEMBL1090500 0.90 CXCR4 (0.60) CXCR4MAPK10HRH4IDH1
SCHEMBL1089995 0.84 CXCR4 (0.81) CXCR4MAPK10HRH4ROCK2EHMT2
SCHEMBL1089706 0.82 CXCR4 (0.90) CXCR4HRH4ROCK2EHMT2IDH1
SCHEMBL1088216 0.82 CXCR4 (0.90) CXCR4HRH4ROCK2EHMT2IDH1
SCHEMBL1088952 0.82 CXCR4 (0.90) CXCR4HRH4ROCK2EHMT2IDH1
SCHEMBL1090401 0.81 CXCR4 (0.67) CXCR4MAPK10HRH4HTR1AROCK2
SCHEMBL1088764 0.80 CXCR4 (0.90) CXCR4MAPK10HRH4ROCK2EHMT2
SCHEMBL1088538 0.80 CXCR4 (0.90) CXCR4MAPK10HRH4ROCK2EHMT2

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 1/4885MAPK10 1107/4885HRH4 130/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CXCR4 1/4885MAPK10 1107/4885HRH4 130/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885MAPK10 1107/4885HRH4 130/4885

“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.