SCHEMBL2986306

SCHEMBL2986306

CS(=O)(=O)c1nccc(-c2cc3ccccc3s2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.48
CHUK O15111 7/20 0.48
IKBKG Q9Y6K9 7/20 0.48
CYP19A1 P11511 1/20 0.46
PTGS2 P35354 2/20 0.43
CA2 P00918 2/20 0.43
PTGS1 P23219 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CDC7 O00311 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
KDM1A O60341 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
FAAH O00519 1/20 0.39
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCZ Q05513 1/20 0.38

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
SCHEMBL12917990 0.77 SDHB (0.35) IKBKBMEN1KMT2A
SCHEMBL3939477 0.75 CDC7 (0.60) IKBKBCHUKIKBKGCYP19A1CDC7
SCHEMBL3963946 0.75 CYP19A1 (0.51) IKBKBCHUKIKBKGCYP19A1CDC7
SCHEMBL2198259 0.74 KDM4E (0.38) IKBKBMEN1KMT2ATDP1
SCHEMBL4900807 0.72 DKK1 (0.50) PTGS2CA2CA1CA9CYP11B2
SCHEMBL4447801 0.72 BPTF (0.54) IKBKBPTGS2PTGS1MEN1KMT2A
SCHEMBL2961721 0.72 MIF (0.59) MEN1RECQLKMT2ATDP1
SCHEMBL2988283 0.72 ROCK1 (0.46) MEN1KMT2A
SCHEMBL15551472 0.72 CYP19A1 (0.51) IKBKBCHUKIKBKGCYP19A1CDC7
SCHEMBL7421078 0.71 GABRA1 (0.39) IKBKBCA2CA1CA9

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 9 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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN 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
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN 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.