Sugi Predict

Sugi Predict / Compounds / SCHEMBL1089616

SCHEMBL1089616

SCHEMBL1089616

CC(C)N1CCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.55
▸ CXCR4 P61073 2/20 0.51
▸ ACACB O00763 1/20 0.43
▸ MAPK8 P45983 4/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CDK6 Q00534 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39

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
SCHEMBL1090170 0.98 HRH4 (0.52) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1091069 0.95 CXCR4 (0.54) HRH4CXCR4ACACBMAPK8
SCHEMBL1090725 0.89 HRH4 (0.60) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1090855 0.89 HRH4 (0.60) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1088910 0.89 HRH4 (0.60) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1090359 0.89 HRH4 (0.60) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1088438 0.89 HRH4 (0.60) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1089267 0.89 HRH4 (0.60) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1090804 0.89 HRH4 (0.67) HRH4CXCR4ACACBMAPK8MAPK9
SCHEMBL1089549 0.88 HRH4 (0.59) HRH4CXCR4ACACBMAPK8MAPK9

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 130/4885CXCR4 1/4885ACACB 4717/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH4 130/4885CXCR4 1/4885ACACB 4717/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH4 130/4885CXCR4 1/4885ACACB 4717/4885

“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.