SCHEMBL2975976

SCHEMBL2975976

Cc1ccc(-c2ccnc(NCCN3C(=O)NC(=O)C3(C)C)n2)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 2/20 0.41
GSK3B P49841 2/20 0.41
IKBKB O14920 1/20 0.41
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK2 P24941 1/20 0.37
CLK1 P49759 1/20 0.37
MKNK1 Q9BUB5 3/20 0.36
AKT3 Q9Y243 7/20 0.35
EIF2AK2 P19525 4/20 0.35
CDC7 O00311 1/20 0.34
DHODH Q02127 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
SCHEMBL2984724 0.89 MAPK3 (0.37) DKK1GSK3BIKBKBMAPK3MAPK1
SCHEMBL2983814 0.89 MAPK1 (0.37) DKK1GSK3BIKBKBMAPK3MAPK1
SCHEMBL2974881 0.89 MAPK3 (0.39) MAPK3MAPK1CDK2CLK1MKNK1
SCHEMBL2982348 0.89 MEN1 (0.38) MAPK3MAPK1CDK2CLK1MKNK1
SCHEMBL2975816 0.89 MAPK3 (0.38) IKBKBMAPK3MAPK1CDK2CLK1
SCHEMBL2980358 0.87 PGR (0.39) DKK1GSK3BIKBKBMAPK3MAPK1
SCHEMBL2975042 0.86 ALDH1A1 (0.39) GSK3BMAPK3MAPK1CDK2CLK1
SCHEMBL2986435 0.86 MAPK3 (0.38) MAPK3MAPK1CDK2CLK1MKNK1
SCHEMBL2971797 0.85 MAPK3 (0.39) MAPK3MAPK1CDK2CLK1MKNK1
SCHEMBL2989628 0.85 ALDH1A1 (0.44) GSK3B

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

“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.