SCHEMBL1090183

SCHEMBL1090183

O=C(c1ccc2ccccc2c1)N1CCC(N2CCCC(Nc3nccc(N4CCCCCC4)n3)C2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
CCNK O75909 2/20 0.48
CDK12 Q9NYV4 2/20 0.48
CXCR4 P61073 1/20 0.47
MAPK10 P53779 10/20 0.46
LCK P06239 1/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PRKCZ Q05513 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IKBKG Q9Y6K9 1/20 0.46
MAPK8 P45983 5/20 0.44
MAPK9 P45984 5/20 0.44
MAP2K4 P45985 1/20 0.44

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
SCHEMBL1091000 0.98 L3MBTL3 (0.51) L3MBTL3L3MBTL1MEN1KMT2APOLB
SCHEMBL1089249 0.96 CXCR4 (0.50) L3MBTL3L3MBTL1MEN1KMT2APOLB
SCHEMBL1088594 0.93 CCNK (0.51) MEN1KMT2APOLBCCNKCDK12
SCHEMBL1091012 0.92 CCNK (0.50) MEN1KMT2APOLBCCNKCDK12
SCHEMBL1090283 0.91 CXCR4 (0.53) L3MBTL3L3MBTL1MEN1KMT2APOLB
SCHEMBL1089196 0.89 LCK (0.49) MEN1KMT2APOLBCCNKCDK12
SCHEMBL1091241 0.89 CXCR4 (0.53) L3MBTL3L3MBTL1MEN1KMT2APOLB
SCHEMBL1090616 0.88 GBA1 (0.48) L3MBTL3L3MBTL1MEN1KMT2ACCNK
SCHEMBL1089111 0.88 TDP1 (0.58) L3MBTL3L3MBTL1CCNKCDK12CXCR4
SCHEMBL1090289 0.88 L3MBTL1 (0.51) L3MBTL3L3MBTL1MEN1KMT2ACCNK

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 L3MBTL3 2183/4885L3MBTL1 2480/4885MEN1 3648/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 L3MBTL3 2183/4885L3MBTL1 2480/4885MEN1 3648/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL3 2183/4885L3MBTL1 2480/4885MEN1 3648/4885

“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.