SCHEMBL2986245

SCHEMBL2986245

Cc1nc(-c2cccnc2)sc1-c1ccnc(NCCN2CCNC2=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.47
CLK1 P49759 1/20 0.47
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BRAF P15056 5/20 0.41
WEE1 P30291 2/20 0.41
FLT3 P36888 2/20 0.41
ALK Q9UM73 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
RAF1 P04049 4/20 0.40
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
AURKA O14965 5/20 0.39
AURKB Q96GD4 5/20 0.39
CDK4 P11802 5/20 0.39
CDK9 P50750 4/20 0.39
CCNE1 P24864 2/20 0.39
CDK7 P50613 2/20 0.39
ABL1 P00519 2/20 0.39

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
SCHEMBL2986143 0.91 ADORA2A (0.47) CDK2CLK1BRAFWEE1FLT3
SCHEMBL2985978 0.86 BRAF (0.49) CDK2CLK1BRAFWEE1FLT3
SCHEMBL2971996 0.85 BRAF (0.44) CDK2CLK1KCNH2HRH3BRAF
SCHEMBL2984640 0.85 BRAF (0.43) CDK2CLK1BRAFADORA2AADORA1
SCHEMBL2986664 0.85 BRAF (0.45) CDK2CLK1BRAFADORA2AADORA1
SCHEMBL2987899 0.84 CDK2 (0.50) CDK2BRAFAURKAAURKBCDK4
SCHEMBL2986560 0.83 BRAF (0.50) CDK2CLK1BRAFWEE1FLT3
SCHEMBL2981312 0.80 BRAF (0.49) CDK2CLK1BRAFADORA2AADORA1
SCHEMBL12278950 0.77 CDK2 (0.51) CDK2AURKAAURKBCDK4CDK9
SCHEMBL2983638 0.77 BRAF (0.46) BRAFADORA2AADORA1RAF1IRAK1

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 CDK2 23/4885CLK1 363/4885KCNH2 4183/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 CDK2 23/4885CLK1 363/4885KCNH2 4183/4885

“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.