SCHEMBL2979550

SCHEMBL2979550

CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2cccc(O)c2)c(-c2ccc(S(=O)(=O)c3ccc(F)cc3)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.37
BRAF P15056 6/20 0.37
MAPK14 Q16539 4/20 0.37
MAPK8 P45983 4/20 0.37
ERN1 O75460 2/20 0.37
ABL1 P00519 2/20 0.37
FGFR1 P11362 2/20 0.37
FLT3 P36888 2/20 0.37
MAPK11 Q15759 2/20 0.37
NTRK2 Q16620 2/20 0.37
HIPK1 Q86Z02 2/20 0.37
MAP3K20 Q9NYL2 2/20 0.37
PTGS2 P35354 2/20 0.36
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
PLK2 Q9NYY3 1/20 0.33
GCK P35557 2/20 0.32
GCKR Q14397 2/20 0.32
ADORA1 P30542 3/20 0.31
HSD17B1 P14061 2/20 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
SCHEMBL2975947 0.94 BRAF (0.36) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL2987614 0.94 ADORA1 (0.36) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL2985533 0.93 ADORA1 (0.36) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL2985443 0.90 USP2 (0.36) PTGS2PLK2
SCHEMBL5145972 0.88 RAF1 (0.39) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL3175471 0.88 PTGS2 (0.33) PTGS2PLK2
SCHEMBL2976262 0.84 RAF1 (0.37) RAF1BRAFMAPK14ADORA1
SCHEMBL2988097 0.84 PTGS2 (0.32) PTGS2PLK2
SCHEMBL2981681 0.84 ADORA1 (0.39) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL2980447 0.83 PTGS2 (0.31) PTGS2PLK2GCKGCKR

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 12 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 claimed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US claimed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP claimed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed
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 RAF1 1089/4885BRAF 841/4885MAPK14 2182/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 RAF1 1089/4885BRAF 841/4885MAPK14 2182/4885

“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.