SCHEMBL2975957

SCHEMBL2975957

CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2ccc3ccccc3c2)c(-c2cc3ccccc3s2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
MERTK Q12866 1/20 0.32
CYP3A4 P08684 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PRKCQ Q04759 1/20 0.32
KCNH2 Q12809 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PTK2 Q05397 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31

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 0.92 ADORA1 (0.38) ADORA1CCNCCDK8ADORA2AMERTK
SCHEMBL2988700 0.90 ADORA1 (0.47) ADORA1CCNCCDK8ADORA2AMERTK
SCHEMBL2978018 0.90 HSD17B1 (0.39) ADORA1CCNCCDK8MERTKCD274
SCHEMBL2979582 0.89 PIK3CD (0.37) ADORA1CCNCCDK8ADORA2AMERTK
SCHEMBL2983810 0.88 ADORA1 (0.34) ADORA1CCNCCDK8ADORA2AMERTK
SCHEMBL2986461 0.87 CASP1 (0.40) ADORA1CCNCCDK8ADORA2AADORA2B
SCHEMBL3176417 0.85 ADORA1 (0.33) ADORA1CCNCCDK8
SCHEMBL2984589 0.85 VCP (0.37) ADORA1CCNCCDK8CYP3A4GSK3A
SCHEMBL2975235 0.85 MERTK (0.34) CCNCCDK8MERTKCYP3A4GSK3A
SCHEMBL2972000 0.81 RAF1 (0.35) ADORA1ADORA2A

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 ADORA1 1406/4885CCNC 76/4885CDK8 56/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ADORA1 1406/4885CCNC 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.