SCHEMBL2977663

SCHEMBL2977663

CCc1ccccc1Sc1ccc(-c2ccnc(NCCN3C(=O)NC(=O)C3(C)C)n2)s1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 3/20 0.33
CDK2 P24941 1/20 0.33
CLK1 P49759 1/20 0.33
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EIF2AK2 P19525 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
CDC7 O00311 1/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
RET P07949 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL2975266 0.91 CDK2 (0.35) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL2972089 0.89 AKT3 (0.35) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL5146082 0.87 CDK2 (0.35) AKT3CDK2CLK1MAPK1KDM4E
SCHEMBL2983838 0.83 PIK3CA (0.35) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL2975793 0.81 LOXL2 (0.37) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL2975976 0.81 DKK1 (0.41) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL2980621 0.80 AKT3 (0.32) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL2982348 0.79 MEN1 (0.38) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL2974881 0.79 MAPK3 (0.39) AKT3CDK2CLK1MAPK3MAPK1
SCHEMBL2983814 0.79 MAPK1 (0.37) AKT3CDK2CLK1MAPK3MAPK1

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 12 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 claimed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US claimed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP claimed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed
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 AKT3 920/4885CDK2 23/4885CLK1 363/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 AKT3 920/4885CDK2 23/4885CLK1 363/4885

“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.