SCHEMBL2984589

SCHEMBL2984589

CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2cccc(N3CCCCC3)c2)c(-c2cc3ccccc3s2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.37
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
PIM1 P11309 1/20 0.34
PTK2 Q05397 1/20 0.34
CYP3A4 P08684 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKCQ Q04759 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPY5R Q15761 1/20 0.33
ADORA1 P30542 3/20 0.33
HCRTR2 O43614 1/20 0.32
TNK2 Q07912 4/20 0.32
CACNA2D1 P54289 1/20 0.32
POLQ O75417 1/20 0.32
PLAU P00749 1/20 0.32
SLC6A2 P23975 1/20 0.32

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 0.88 ADORA1 (0.38) CCNCCDK8CYP3A4GSK3AGSK3B
SCHEMBL2988700 0.86 ADORA1 (0.47) CCNCCDK8CYP3A4GSK3AGSK3B
SCHEMBL2978018 0.86 HSD17B1 (0.39) CCNCCDK8ADORA1
SCHEMBL2975957 0.85 ADORA1 (0.33) CCNCCDK8PIM1PTK2CYP3A4
SCHEMBL2983810 0.85 ADORA1 (0.34) CCNCCDK8CYP3A4GSK3AGSK3B
SCHEMBL2986461 0.84 CASP1 (0.40) CCNCCDK8CYP3A4ADORA1
SCHEMBL2979582 0.84 PIK3CD (0.37) CCNCCDK8CYP3A4GSK3AGSK3B
SCHEMBL3176417 0.83 ADORA1 (0.33) CCNCCDK8ADORA1
SCHEMBL2975235 0.80 MERTK (0.34) CCNCCDK8CYP3A4GSK3AGSK3B
SCHEMBL2972000 0.79 RAF1 (0.35) ADORA1

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 VCP 3305/4885CCNC 76/4885CDK8 56/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 VCP 3305/4885CCNC 76/4885CDK8 56/4885

“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.