SCHEMBL2978487

SCHEMBL2978487

CC1(C)C(=O)NC(=O)N1CCNc1nccc(-c2scc(C#N)c2-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.37
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
USP30 Q70CQ3 2/20 0.33
RAF1 P04049 4/20 0.33
BRAF P15056 4/20 0.33
MAP3K14 Q99558 7/20 0.33
CDK2 P24941 1/20 0.33
CLK1 P49759 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL2984010 0.88 EIF2AK2 (0.39) EIF2AK2RAF1BRAFCDK2CLK1
SCHEMBL5147284 0.87 ALDH1A1 (0.36) EIF2AK2KDM4ENPSR1MAPK1L3MBTL1
SCHEMBL2986787 0.84 CDK2 (0.34) L3MBTL1RAF1BRAFMAP3K14CDK2
SCHEMBL2982460 0.81 EIF2AK2 (0.38) EIF2AK2RAF1BRAFCDK2CLK1
SCHEMBL2971966 0.79 EIF2AK2 (0.38) EIF2AK2MAPK1RAF1BRAFMKNK1
SCHEMBL2986650 0.79 CDK2 (0.37) EIF2AK2MAPK1RAF1BRAFCDK2
SCHEMBL2981713 0.76 KDM4E (0.38) KDM4ENPSR1MAPK1L3MBTL1CDK2
SCHEMBL2980358 0.76 PGR (0.39) EIF2AK2MAPK1BRAFMAP3K14CDK2
SCHEMBL2974386 0.76 ALDH1A1 (0.41) EIF2AK2MAPK1RAF1BRAFCDK2
SCHEMBL3071448 0.75 CDK2 (0.35) EIF2AK2MAPK1RAF1BRAFCDK2

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 EIF2AK2 421/4885KDM4E 1956/4885NPSR1 4397/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 EIF2AK2 421/4885KDM4E 1956/4885NPSR1 4397/4885

“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.