SCHEMBL1089153

SCHEMBL1089153

CC(C)(C)c1ccc(C(=O)N2CCCC(N3CCCCC(Nc4nccc(N5CCCCCC5)n4)C3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 8/20 0.54
CCNK O75909 7/20 0.54
BTK Q06187 1/20 0.46
HRH4 Q9H3N8 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
GBA1 P04062 1/20 0.43
CXCR4 P61073 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL1089142 0.99 CDK12 (0.54) CDK12CCNKBTKHRH4MEN1
SCHEMBL1090502 0.96 CDK12 (0.53) CDK12CCNKBTKHRH4MEN1
SCHEMBL1091089 0.92 CDK12 (0.52) CDK12CCNKHRH4MEN1KMT2A
SCHEMBL1089216 0.92 CCNK (0.51) CDK12CCNKBTKHRH4MEN1
SCHEMBL1090756 0.92 CCNK (0.49) CDK12CCNKBTKHRH4MEN1
SCHEMBL1088930 0.91 CDK12 (0.53) CDK12CCNKHRH4MEN1KMT2A
SCHEMBL1090064 0.91 CDK12 (0.56) CDK12CCNKHRH4KMT2ACXCR4
SCHEMBL1090758 0.90 CDK12 (0.57) CDK12CCNKHRH4KMT2ACXCR4
SCHEMBL1090868 0.89 CDK12 (0.54) CDK12CCNKHRH4MEN1KMT2A
SCHEMBL1090385 0.89 CDK12 (0.53) CDK12CCNKHRH4CXCR4

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 CDK12 2526/4885CCNK 793/4885BTK 372/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CDK12 2526/4885CCNK 793/4885BTK 372/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CDK12 2526/4885CCNK 793/4885BTK 372/4885

“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.