SCHEMBL2988565

SCHEMBL2988565

CC1(C)C(=O)NC(=O)N1CCNc1nccc(-c2cc3cc(NC(=O)C=Cc4ccncc4)ccc3s2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.35
CHUK O15111 6/20 0.35
IKBKG Q9Y6K9 6/20 0.35
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
SYK P43405 3/20 0.33
MCHR1 Q99705 1/20 0.33
IMPDH2 P12268 1/20 0.33
HDAC4 P56524 2/20 0.32
ABL1 P00519 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL2983295 0.92 NAMPT (0.40) HDAC1HDAC3HDAC2HDAC6HDAC4
SCHEMBL2982321 0.89 SYK (0.39) IKBKBCHUKIKBKGSYKPDGFRB
SCHEMBL3170970 0.89 IKBKB (0.35) IKBKBCHUKIKBKGSYKMAPK1
SCHEMBL2983547 0.88 IKBKB (0.41) IKBKBCHUKIKBKGHDAC1SYK
SCHEMBL2983663 0.87 IKBKB (0.39) IKBKBCHUKIKBKGSYKABL1
SCHEMBL3177282 0.87 IKBKB (0.41) IKBKBCHUKIKBKGHDAC1SYK
SCHEMBL2975941 0.85 IKBKB (0.38) IKBKBCHUKIKBKGSYKPDGFRB
SCHEMBL2983796 0.85 IKBKB (0.38) IKBKBCHUKIKBKGSYKMAPK1
SCHEMBL2980831 0.84 IKBKB (0.37) IKBKBCHUKIKBKGSYKPDGFRB
SCHEMBL2985350 0.84 CDK2 (0.37) IKBKBCHUKIKBKGHDAC1SYK

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.