SCHEMBL2987757

SCHEMBL2987757

CCCC(C)S(=O)(=O)c1ccc(-c2ccnc(NCCN3C(=O)NC(=O)C3(C)C)n2)s1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CDC7 O00311 1/20 0.32
MKNK1 Q9BUB5 1/20 0.30
IKBKB O14920 1/20 0.30
DKK1 O94907 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
SCHEMBL2980290 0.82 AKT3 (0.34) MAPK3MAPK1IKBKBDKK1GSK3B
SCHEMBL2980876 0.81 IKBKB (0.37) MAPK3MAPK1IKBKBDKK1GSK3B
SCHEMBL2982199 0.81 MAP3K5 (0.35) MAPK3MAPK1MKNK1IKBKBDKK1
SCHEMBL2975793 0.81 LOXL2 (0.37) MAPK3MAPK1MKNK1
SCHEMBL2975976 0.81 DKK1 (0.41) MAPK3MAPK1CDC7MKNK1IKBKB
SCHEMBL2983034 0.80 AKT3 (0.36) MKNK1IKBKBDKK1GSK3B
SCHEMBL2982266 0.80 MAPK3 (0.34) MAPK3MAPK1CDC7MKNK1IKBKB
SCHEMBL2988253 0.80 POLB (0.35) MAPK3MAPK1IKBKBDKK1GSK3B
SCHEMBL2980080 0.80 PIK3CA (0.34) MAPK3MAPK1MKNK1IKBKBDKK1
SCHEMBL2980519 0.80 MKNK1 (0.34) MAPK3MAPK1MKNK1IKBKBDKK1

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 MAPK3 1361/4885MAPK1 1111/4885CDC7 158/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 MAPK3 1361/4885MAPK1 1111/4885CDC7 158/4885

“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.