SCHEMBL2978018

SCHEMBL2978018

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ADORA1 P30542 5/20 0.37
TNIK Q9UKE5 2/20 0.35
RAF1 P04049 5/20 0.34
BRAF P15056 5/20 0.34
APP P05067 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ERN1 O75460 1/20 0.32
ABL1 P00519 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
NTRK2 Q16620 1/20 0.32
HIPK1 Q86Z02 1/20 0.32
MAP3K20 Q9NYL2 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 0.92 ADORA1 (0.38) ADORA1CCNCCDK8CD274ABL1
SCHEMBL2972000 0.92 RAF1 (0.35) ADORA1RAF1BRAFERN1ABL1
SCHEMBL2988700 0.91 ADORA1 (0.47) ADORA1CCNCCDK8FGFR1MERTK
SCHEMBL2979582 0.90 PIK3CD (0.37) ADORA1CCNCCDK8JAK2JAK3
SCHEMBL2975277 0.90 KDR (0.38) ADORA1RAF1BRAFMAPK8
SCHEMBL2975957 0.90 ADORA1 (0.33) ADORA1CCNCCDK8CD274JAK2
SCHEMBL2983810 0.89 ADORA1 (0.34) ADORA1CCNCCDK8MERTK
SCHEMBL2986461 0.88 CASP1 (0.40) ADORA1CCNCCDK8
SCHEMBL2973501 0.87 ADORA1 (0.39) ADORA1RAF1BRAFERN1ABL1
SCHEMBL2980178 0.87 HSD17B1 (0.40) HSD17B1HSD17B2ADORA1RAF1BRAF

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 HSD17B1 3037/4885HSD17B2 3435/4885ADORA1 1406/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 HSD17B1 3037/4885HSD17B2 3435/4885ADORA1 1406/4885

“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.