SCHEMBL2980290

SCHEMBL2980290

CC1(C)C(=O)NC(=O)N1CCNc1nccc(-c2ccc(S(=O)(=O)c3ccccc3)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 2/20 0.34
PKM P14618 1/20 0.34
BRAF P15056 9/20 0.33
RAF1 P04049 8/20 0.33
IKBKB O14920 2/20 0.33
EIF2AK2 P19525 1/20 0.33
DKK1 O94907 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
CDK2 P24941 1/20 0.33
CLK1 P49759 1/20 0.33
PFKFB3 Q16875 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LOXL2 Q9Y4K0 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
SCHEMBL2980876 0.92 IKBKB (0.37) AKT3BRAFRAF1IKBKBDKK1
SCHEMBL2983034 0.91 AKT3 (0.36) AKT3BRAFRAF1IKBKBDKK1
SCHEMBL2988253 0.91 POLB (0.35) BRAFRAF1IKBKBDKK1GSK3B
SCHEMBL2977566 0.90 BRAF (0.40) BRAFRAF1IKBKBCDK2
SCHEMBL2980080 0.89 PIK3CA (0.34) AKT3PKMBRAFRAF1IKBKB
SCHEMBL2975793 0.88 LOXL2 (0.37) AKT3EIF2AK2MAPK3MAPK1CDK2
SCHEMBL2986673 0.88 IKBKB (0.35) AKT3BRAFRAF1IKBKBEIF2AK2
SCHEMBL2989836 0.84 LOXL2 (0.30) LOXL2
SCHEMBL2982199 0.83 MAP3K5 (0.35) AKT3PKMBRAFRAF1IKBKB
SCHEMBL2983326 0.83 MKNK1 (0.35) AKT3MAPK3MAPK1CDK2CLK1

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 AKT3 920/4885PKM 465/4885BRAF 841/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 AKT3 920/4885PKM 465/4885BRAF 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.