SCHEMBL2982199

SCHEMBL2982199

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.35
GABRA1 P14867 1/20 0.35
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
RAF1 P04049 6/20 0.32
BRAF P15056 6/20 0.32
MKNK1 Q9BUB5 1/20 0.31
IKBKB O14920 1/20 0.31
DKK1 O94907 1/20 0.31
GSK3B P49841 1/20 0.31
AKT3 Q9Y243 2/20 0.31
CDK2 P24941 1/20 0.30
CLK1 P49759 1/20 0.30
EIF2AK2 P19525 1/20 0.30
PFKFB3 Q16875 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
SCHEMBL2980519 0.86 MKNK1 (0.34) GABRA1MAPK3MAPK1POLBMKNK1
SCHEMBL2980290 0.83 AKT3 (0.34) MAPK3MAPK1PKMRAF1BRAF
SCHEMBL2980876 0.82 IKBKB (0.37) MAPK3MAPK1POLBRAF1BRAF
SCHEMBL2982348 0.82 MEN1 (0.38) MAPK3MAPK1KMT2ABRAFMKNK1
SCHEMBL2986673 0.82 IKBKB (0.35) MAP3K5GABRA1MAPK3MAPK1RAF1
SCHEMBL2975976 0.82 DKK1 (0.41) MAPK3MAPK1MKNK1IKBKBDKK1
SCHEMBL2982266 0.82 MAPK3 (0.34) MAPK3MAPK1PKMBRAFMKNK1
SCHEMBL2983034 0.82 AKT3 (0.36) RAF1BRAFMKNK1IKBKBDKK1
SCHEMBL2988253 0.81 POLB (0.35) MAPK3MAPK1POLBKMT2ARAF1
SCHEMBL2980080 0.81 PIK3CA (0.34) MAPK3MAPK1KDM4EPKMPOLB

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 MAP3K5 332/4885GABRA1 4733/4885MAPK3 1361/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MAP3K5 332/4885GABRA1 4733/4885MAPK3 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.