SCHEMBL1090163

SCHEMBL1090163

CCCCCC(=O)N1CCC(N2CCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.47
CDK12 Q9NYV4 2/20 0.47
CXCR4 P61073 1/20 0.47
HRH4 Q9H3N8 7/20 0.45
MAPK8 P45983 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JUN P05412 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK9 P45984 1/20 0.39
FGFR4 P22455 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL1090139 0.99 CCNK (0.46) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1090933 0.99 CCNK (0.46) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1090655 0.98 CCNK (0.47) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1091308 0.98 HRH4 (0.47) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1090554 0.97 HRH4 (0.48) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1090894 0.97 HRH4 (0.48) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1089876 0.97 HRH4 (0.47) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1090843 0.96 CXCR4 (0.49) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1089236 0.95 CXCR4 (0.49) CCNKCDK12CXCR4HRH4MAPK8
SCHEMBL1089651 0.95 CXCR4 (0.49) CCNKCDK12CXCR4HRH4MAPK8

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 CCNK 793/4885CDK12 2526/4885CXCR4 1/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CCNK 793/4885CDK12 2526/4885CXCR4 1/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CCNK 793/4885CDK12 2526/4885CXCR4 1/4885

“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.