SCHEMBL2984979

SCHEMBL2984979

CC1(C)C(=O)NC(=O)N1CCNc1nccc(-c2ccc(S(=O)(=O)N3CCOc4ccccc43)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.34
EIF2AK2 P19525 3/20 0.33
NAMPT P43490 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.32
GHSR Q92847 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
MAPT P10636 1/20 0.32
PIK3CA P42336 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
SCHEMBL2986689 0.86 TSHR (0.38) MAPK1GHSRMEN1KMT2A
SCHEMBL2980086 0.86 BRAF (0.40) MKNK1MKNK2NPC1EIF2AK2NAMPT
SCHEMBL2980290 0.79 AKT3 (0.34) MAPK3MAPK1EIF2AK2
SCHEMBL2983326 0.79 MKNK1 (0.35) MKNK1MKNK2MAPK3MAPK1MEN1
SCHEMBL2980080 0.77 PIK3CA (0.34) MKNK1MAPK3MAPK1EIF2AK2POLB
SCHEMBL2980393 0.77 MMP3 (0.35) MKNK1MAPK3MAPK1MEN1KMT2A
SCHEMBL2975793 0.77 LOXL2 (0.37) MKNK1MAPK3MAPK1EIF2AK2MEN1
SCHEMBL2987097 0.77 ALDH1A1 (0.42) MAPK3MAPK1NAMPTPOLBMEN1
SCHEMBL2982266 0.76 MAPK3 (0.34) MKNK1MAPK3MAPK1
SCHEMBL2984959 0.76 LOXL2 (0.34) MKNK1MKNK2MAPK3MAPK1

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 MKNK1 243/4885MKNK2 325/4885MAPK3 1361/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MKNK1 243/4885MKNK2 325/4885MAPK3 1361/4885

“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.