Sugi Predict

Sugi Predict / Compounds / SCHEMBL1090975

SCHEMBL1090975

SCHEMBL1090975

c1ccc(-c2nc(CN3CC(Nc4nccc(N5CCCCCC5)n4)C3)c[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.60
▸ HRH4 Q9H3N8 6/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ MAPK8 P45983 2/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ OGA O60502 3/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ IDH1 O75874 3/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL1088982 0.83 CXCR4 (0.77) CXCR4HRH4MAPK10HRH3OGA
SCHEMBL1090262 0.82 CXCR4 (0.66) CXCR4HRH4MAPK8HRH3OGA
SCHEMBL1089573 0.82 CXCR4 (0.85) CXCR4HRH4HRH3OGAIDH1
SCHEMBL1090381 0.80 CXCR4 (0.59) CXCR4HRH4MAPK10MAPK8HTR1A
SCHEMBL1091302 0.79 CXCR4 (0.61) CXCR4HRH4MAPK10MAPK8CCNE1
SCHEMBL1091137 0.78 CXCR4 (0.60) CXCR4HRH4MAPK8HRH3CCNE1
SCHEMBL1092284 0.78 CXCR4 (0.58) CXCR4HTR1A
SCHEMBL1090166 0.77 CXCR4 (0.59) CXCR4HRH4MAPK8HRH3
SCHEMBL1089352 0.77 CXCR4 (0.90) CXCR4HRH4HRH3ACHE
SCHEMBL1091394 0.76 CXCR4 (0.63) CXCR4HRH4MAPK8HRH3OGA

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

“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.