SCHEMBL2985653

SCHEMBL2985653

CCNc1ccc2sc(-c3ccnc(NCCN4C(=O)NC(=O)C4(C)C)n3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.37
CHUK O15111 7/20 0.37
IKBKG Q9Y6K9 7/20 0.37
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
SYK P43405 4/20 0.34
AKT3 Q9Y243 1/20 0.34
BRD4 O60885 1/20 0.33
CDK9 P50750 1/20 0.33
CDC7 O00311 1/20 0.33
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKCZ Q05513 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CDK2 P24941 1/20 0.32
CLK1 P49759 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
WEE1 P30291 1/20 0.31

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
SCHEMBL2985350 0.89 CDK2 (0.37) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL2983663 0.89 IKBKB (0.39) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL2984656 0.88 MAPK3 (0.37) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL2983796 0.87 IKBKB (0.38) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL2975941 0.87 IKBKB (0.38) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL5147421 0.87 IKBKB (0.37) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL2985979 0.86 IKBKB (0.46) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL2980831 0.86 IKBKB (0.37) IKBKBCHUKIKBKGMAPK3MAPK1
SCHEMBL2984268 0.85 PDGFRB (0.46) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL2983547 0.85 IKBKB (0.41) IKBKBCHUKIKBKGSYKMEN1

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 1952/4885CHUK 1311/4885IKBKG 2049/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 IKBKB 1952/4885CHUK 1311/4885IKBKG 2049/4885

“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.