SCHEMBL1089601

SCHEMBL1089601

Cc1ccc(C(=O)N2CCC(N3CCC(Nc4nccc(N5CCCCCC5)n4)C3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.50
CDK12 Q9NYV4 2/20 0.50
CXCR4 P61073 1/20 0.48
PROKR1 Q8TCW9 2/20 0.45
L3MBTL3 Q96JM7 8/20 0.45
L3MBTL1 Q9Y468 7/20 0.45
MBTD1 Q05BQ5 4/20 0.45
GBA1 P04062 1/20 0.45
HRH4 Q9H3N8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ADRA1A P35348 1/20 0.44
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1090091 0.96 CCNK (0.53) CCNKCDK12CXCR4PROKR1L3MBTL3
SCHEMBL1091096 0.96 CCNK (0.51) CCNKCDK12CXCR4PROKR1L3MBTL3
SCHEMBL1089125 0.91 CDK12 (0.55) CCNKCDK12CXCR4PROKR1HRH4
SCHEMBL1089223 0.91 L3MBTL1 (0.53) CCNKCDK12CXCR4L3MBTL3L3MBTL1
SCHEMBL1091044 0.91 CXCR4 (0.56) CCNKCDK12CXCR4L3MBTL3L3MBTL1
SCHEMBL1090956 0.91 CCNK (0.48) CCNKCDK12CXCR4L3MBTL3L3MBTL1
SCHEMBL1089141 0.91 CDK12 (0.48) CCNKCDK12CXCR4L3MBTL3MBTD1
SCHEMBL1090983 0.90 GBA1 (0.49) CCNKCDK12CXCR4PROKR1L3MBTL3
SCHEMBL1090509 0.89 CCNK (0.46) CCNKCDK12CXCR4L3MBTL3L3MBTL1
SCHEMBL1090758 0.88 CDK12 (0.57) CCNKCDK12CXCR4PROKR1HRH4

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.