SCHEMBL2979582

SCHEMBL2979582

CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2cccnc2)c(-c2cc3ccccc3s2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ADORA1 P30542 5/20 0.36
ADORA2A P29274 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
CYP3A4 P08684 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PRKCQ Q04759 1/20 0.34
KCNH2 Q12809 1/20 0.34
MERTK Q12866 2/20 0.33
AXL P30530 1/20 0.33

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
SCHEMBL2975687 0.93 ADORA1 (0.38) PIK3CDADORA1ADORA2ACCNCCDK8
SCHEMBL2978018 0.90 HSD17B1 (0.39) ADORA1CCNCCDK8MERTKJAK2
SCHEMBL2975957 0.89 ADORA1 (0.33) PIK3CDADORA1ADORA2ACCNCCDK8
SCHEMBL2988700 0.88 ADORA1 (0.47) ADORA1ADORA2ACCNCCDK8CYP3A4
SCHEMBL2983810 0.87 ADORA1 (0.34) ADORA1ADORA2ACCNCCDK8CYP3A4
SCHEMBL5179687 0.86 ADORA1 (0.37) PIK3CDPIK3R1DRD2DRD3ADORA1
SCHEMBL2986461 0.86 CASP1 (0.40) ADORA1ADORA2ACCNCCDK8CYP3A4
SCHEMBL2972000 0.86 RAF1 (0.35) ADORA1ADORA2A
SCHEMBL3176417 0.84 ADORA1 (0.33) ADORA1CCNCCDK8
SCHEMBL2984589 0.84 VCP (0.37) ADORA1CCNCCDK8CYP3A4GSK3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO 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 (2 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 PIK3CD 312/4885PIK3R1 848/4885DRD2 4623/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 PIK3CD 312/4885PIK3R1 848/4885DRD2 4623/4885

“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.