SCHEMBL2985533

SCHEMBL2985533

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.36
MAPK8 P45983 2/20 0.34
BRAF P15056 5/20 0.33
MAPK14 Q16539 3/20 0.33
CCR9 P51686 1/20 0.33
GCK P35557 2/20 0.32
GCKR Q14397 2/20 0.32
RAF1 P04049 4/20 0.32
ERN1 O75460 1/20 0.30
ABL1 P00519 1/20 0.30
FGFR1 P11362 1/20 0.30
FLT3 P36888 1/20 0.30
MAPK11 Q15759 1/20 0.30
NTRK2 Q16620 1/20 0.30
HIPK1 Q86Z02 1/20 0.30
MAP3K20 Q9NYL2 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL2987614 0.94 ADORA1 (0.36) ADORA1MAPK8BRAFMAPK14RAF1
SCHEMBL2979550 0.93 RAF1 (0.37) ADORA1MAPK8BRAFMAPK14GCK
SCHEMBL2975947 0.90 BRAF (0.36) ADORA1MAPK8BRAFMAPK14RAF1
SCHEMBL2981681 0.87 ADORA1 (0.39) ADORA1MAPK8BRAFMAPK14RAF1
SCHEMBL2980527 0.84 MRGPRX1 (0.33)
SCHEMBL2973501 0.83 ADORA1 (0.39) ADORA1MAPK8BRAFMAPK14RAF1
SCHEMBL2985443 0.83 USP2 (0.36)
SCHEMBL2984465 0.82 ADORA1 (0.39) ADORA1MAPK8BRAFMAPK14RAF1
SCHEMBL2988410 0.81
SCHEMBL3175471 0.81 PTGS2 (0.33)

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 1406/4885MAPK8 1584/4885BRAF 841/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ADORA1 1406/4885MAPK8 1584/4885BRAF 841/4885

“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.