SCHEMBL1090194

SCHEMBL1090194

CCC(=O)N1CCC(N2CCCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.50
CCNK O75909 2/20 0.49
CDK12 Q9NYV4 2/20 0.49
CXCR4 P61073 2/20 0.49
MAPK8 P45983 5/20 0.43
ACACB O00763 1/20 0.42
BTK Q06187 2/20 0.42
MAPK9 P45984 2/20 0.41
JUN P05412 1/20 0.41
CDK2 P24941 1/20 0.41
JAK3 P52333 2/20 0.41
EGFR P00533 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
EPHX2 P34913 2/20 0.40
MAPK10 P53779 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
SCHEMBL1090918 0.98 CCNK (0.51) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1089563 0.95 CXCR4 (0.52) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1091083 0.93 HRH4 (0.48) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1089876 0.91 HRH4 (0.47) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1091308 0.91 HRH4 (0.47) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1091304 0.91 CCNK (0.48) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1090408 0.91 CCNK (0.52) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1090554 0.90 HRH4 (0.48) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1090894 0.90 HRH4 (0.48) HRH4CCNKCDK12CXCR4MAPK8
SCHEMBL1091122 0.90 HRH4 (0.48) HRH4CCNKCDK12CXCR4MAPK8

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 130/4885CCNK 793/4885CDK12 2526/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 HRH4 130/4885CCNK 793/4885CDK12 2526/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 HRH4 130/4885CCNK 793/4885CDK12 2526/4885

“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.