SCHEMBL2986143

SCHEMBL2986143

Cc1nc(-c2ccccc2)sc1-c1ccnc(NCCN2CCNC2=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
BRAF P15056 5/20 0.43
CDK2 P24941 7/20 0.43
CDK4 P11802 5/20 0.43
RAF1 P04049 4/20 0.43
SCN9A Q15858 1/20 0.42
EIF2AK2 P19525 1/20 0.41
WEE1 P30291 2/20 0.41
FLT3 P36888 2/20 0.41
ALK Q9UM73 2/20 0.41
CLK1 P49759 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2986245 0.91 CDK2 (0.47) ADORA2AADORA1BRAFCDK2CDK4
SCHEMBL2985978 0.91 BRAF (0.49) ADORA2AADORA1BRAFCDK2CDK4
SCHEMBL2971996 0.90 BRAF (0.44) ADORA2AADORA1BRAFCDK2CDK4
SCHEMBL2986560 0.88 BRAF (0.50) ADORA2AADORA1BRAFCDK2CDK4
SCHEMBL2987899 0.87 CDK2 (0.50) BRAFCDK2CDK4AURKAAURKB
SCHEMBL2983638 0.83 BRAF (0.46) ADORA2AADORA1BRAFRAF1SCN9A
SCHEMBL2981312 0.82 BRAF (0.49) ADORA2AADORA1BRAFCDK2RAF1
SCHEMBL2980812 0.81 EIF2AK2 (0.47) ADORA2AADORA1BRAFRAF1SCN9A
SCHEMBL2971485 0.80 ROCK1 (0.47) ADORA2AADORA1BRAFCDK2RAF1
SCHEMBL2988388 0.79 BRAF (0.49) ADORA2AADORA1BRAFCDK2RAF1

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 ADORA2A 989/4885ADORA1 1406/4885BRAF 841/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 ADORA2A 989/4885ADORA1 1406/4885BRAF 841/4885

“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.