SCHEMBL2980876

SCHEMBL2980876

Cc1ccc(S(=O)(=O)c2ccc(-c3ccnc(NCCN4C(=O)NC(=O)C4(C)C)n3)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.37
DKK1 O94907 1/20 0.37
GSK3B P49841 1/20 0.37
BRAF P15056 11/20 0.36
RAF1 P04049 10/20 0.36
ALDH1A1 P00352 2/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
POLB P06746 1/20 0.34
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
AKT3 Q9Y243 1/20 0.33
CHUK O15111 1/20 0.33
CDK2 P24941 1/20 0.32
CLK1 P49759 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
SCHEMBL2983034 0.92 AKT3 (0.36) IKBKBDKK1GSK3BBRAFRAF1
SCHEMBL2980290 0.92 AKT3 (0.34) IKBKBDKK1GSK3BBRAFRAF1
SCHEMBL2986673 0.91 IKBKB (0.35) IKBKBDKK1GSK3BBRAFRAF1
SCHEMBL2977566 0.91 BRAF (0.40) IKBKBBRAFRAF1AKT1PIK3CA
SCHEMBL2988253 0.90 POLB (0.35) IKBKBDKK1GSK3BBRAFRAF1
SCHEMBL2980080 0.86 PIK3CA (0.34) IKBKBDKK1GSK3BBRAFRAF1
SCHEMBL2975976 0.84 DKK1 (0.41) IKBKBDKK1GSK3BMAPK3MAPK1
SCHEMBL2975793 0.84 LOXL2 (0.37) AKT1PIK3CAMTORMAPK3MAPK1
SCHEMBL2982199 0.82 MAP3K5 (0.35) IKBKBDKK1GSK3BBRAFRAF1
SCHEMBL2982266 0.82 MAPK3 (0.34) IKBKBDKK1GSK3BBRAFMAPK3

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 IKBKB 1952/4885DKK1 1237/4885GSK3B 241/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 IKBKB 1952/4885DKK1 1237/4885GSK3B 241/4885

“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.