SCHEMBL1090789

SCHEMBL1090789

Cc1cccc(C(=O)N2CCCC(N3CCCC(Nc4nccc(N5CCCCCC5)n4)C3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.50
CDK12 Q9NYV4 2/20 0.50
PROKR1 Q8TCW9 4/20 0.47
GBA1 P04062 1/20 0.45
HPGD P15428 2/20 0.44
CXCR4 P61073 1/20 0.44
MAPK10 P53779 3/20 0.44
RHOA P61586 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHX2 P34913 1/20 0.42
GFER P55789 1/20 0.42
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL1091060 0.99 CCNK (0.49) CCNKCDK12PROKR1GBA1HPGD
SCHEMBL1090792 0.97 CCNK (0.48) CCNKCDK12PROKR1GBA1HPGD
SCHEMBL1090616 0.93 GBA1 (0.48) CCNKCDK12PROKR1GBA1HPGD
SCHEMBL1089005 0.91 EPHX2 (0.49) CCNKCDK12GBA1HPGDCXCR4
SCHEMBL1090811 0.90 ALDH1A1 (0.48) CCNKCDK12PROKR1CXCR4MAPK10
SCHEMBL1089128 0.90 CCNK (0.48) CCNKCDK12CXCR4RAB9AEPHX2
SCHEMBL1090758 0.90 CDK12 (0.57) CCNKCDK12PROKR1CXCR4HRH4
SCHEMBL1090260 0.90 CDK12 (0.54) CCNKCDK12CXCR4MAPK10HRH4
SCHEMBL1090714 0.90 GFER (0.51) CCNKCDK12PROKR1HPGDMAPK10
SCHEMBL1090403 0.90 ALDH1A1 (0.49) CCNKCDK12PROKR1CXCR4MAPK10

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 2526/4885PROKR1 688/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CCNK 793/4885CDK12 2526/4885PROKR1 688/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CCNK 793/4885CDK12 2526/4885PROKR1 688/4885

“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.