SCHEMBL2980080

SCHEMBL2980080

Cc1ccccc1S(=O)(=O)c1ccc(-c2ccnc(NCCN3C(=O)NC(=O)C3(C)C)n2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
CDK2 P24941 1/20 0.33
CLK1 P49759 1/20 0.33
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
IKBKB O14920 1/20 0.32
DKK1 O94907 1/20 0.32
GSK3B P49841 1/20 0.32
EIF2AK2 P19525 2/20 0.31
AKT3 Q9Y243 1/20 0.31
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL2975793 0.91 LOXL2 (0.37) PIK3CAMTORCDK2CLK1MAPK3
SCHEMBL2980290 0.89 AKT3 (0.34) CDK2CLK1MAPK3MAPK1IKBKB
SCHEMBL5148325 0.87 CDK2 (0.35) PIK3CAMTORCDK2CLK1MAPK1
SCHEMBL2980876 0.86 IKBKB (0.37) PIK3CAMTORCDK2CLK1MAPK3
SCHEMBL2986673 0.86 IKBKB (0.35) CDK2CLK1MAPK3MAPK1IKBKB
SCHEMBL2988253 0.85 POLB (0.35) PIK3CAMTORCDK2CLK1MAPK3
SCHEMBL2983034 0.84 AKT3 (0.36) PIK3CAMTORIKBKBDKK1GSK3B
SCHEMBL2975976 0.82 DKK1 (0.41) CDK2CLK1MAPK3MAPK1IKBKB
SCHEMBL2977566 0.82 BRAF (0.40) PIK3CAMTORCDK2IKBKBRAF1
SCHEMBL2982199 0.81 MAP3K5 (0.35) CDK2CLK1MAPK3MAPK1IKBKB

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 PIK3CA 192/4885MTOR 606/4885CDK2 23/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 PIK3CA 192/4885MTOR 606/4885CDK2 23/4885

“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.