SCHEMBL1090175

SCHEMBL1090175

COc1ccc(C(=O)N2CCC(N3CCCC(Nc4nccc(N5CCCCCC5)n4)C3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 6/20 0.51
CCNK O75909 5/20 0.51
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.46
ADRA1A P35348 1/20 0.45
CCNA2 P20248 3/20 0.45
CDK2 P24941 3/20 0.45
CDK7 P50613 3/20 0.45
CCNH P51946 3/20 0.45
MNAT1 P51948 3/20 0.45
MBTD1 Q05BQ5 3/20 0.44
L3MBTL3 Q96JM7 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALK Q9UM73 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
SLC6A7 Q99884 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
SCHEMBL1090286 0.98 CDK12 (0.49) CDK12CCNKKDM4ETDP1EPHX2
SCHEMBL1089141 0.96 CDK12 (0.48) CDK12CCNKKDM4ETDP1EPHX2
SCHEMBL1090264 0.93 CDK12 (0.54) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL1090615 0.92 CDK12 (0.54) CDK12CCNKEPHX2CCNA2CDK2
SCHEMBL1090091 0.91 CCNK (0.53) CDK12CCNKADRA1AMBTD1L3MBTL3
SCHEMBL1091011 0.90 CDK12 (0.52) CDK12CCNKADRA1AMBTD1L3MBTL3
SCHEMBL1090445 0.90 ALDH1A1 (0.50) CDK12CCNKKDM4EL3MBTL3L3MBTL1
SCHEMBL1091339 0.90 CDK12 (0.48) CDK12CCNKKDM4EEPHX2ADRA1A
SCHEMBL1090729 0.89 CDK12 (0.53) CDK12CCNKCCNA2CDK2CDK7
SCHEMBL1091096 0.89 CCNK (0.51) CDK12CCNKEPHX2ADRA1AMBTD1

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 793/4885KDM4E 2001/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CDK12 2526/4885CCNK 793/4885KDM4E 2001/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CDK12 2526/4885CCNK 793/4885KDM4E 2001/4885

“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.