SCHEMBL1091018

SCHEMBL1091018

CNc1ncc(C2CCCCC2)c(NCCN(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.42
DNM2 P50570 1/20 0.41
SRC P12931 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
IKBKE Q14164 1/20 0.38
BRSK2 Q8IWQ3 1/20 0.38
AURKB Q96GD4 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
IGF1R P08069 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CHEK1 O14757 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL1089442 0.84 HRH3 (0.44) TBK1DNM2SRCALOX5APFEN1
SCHEMBL1090160 0.84 HRH3 (0.44) TBK1DNM2SRCALOX5APFEN1
SCHEMBL1091003 0.82 HRH3 (0.45) TBK1DNM2SRCCDK2MARK3
SCHEMBL29989291 0.69 TBK1 (0.43) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL6828271 0.67 CDK7 (0.44) CHEK1
SCHEMBL3386220 0.66 TBK1 (0.58) TBK1
SCHEMBL22452427 0.65 ULK1 (0.54)
SCHEMBL22209330 0.65 ULK1 (0.54)
SCHEMBL3996015 0.65 MEN1 (0.46) DNM2SRCALOX5APFEN1HRH4
SCHEMBL604272 0.65 DNM2 (0.38) DNM2SRCHRH4

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 TBK1 1733/4885DNM2 4429/4885SRC 229/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 TBK1 1733/4885DNM2 4429/4885SRC 229/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 TBK1 1733/4885DNM2 4429/4885SRC 229/4885

“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.