SCHEMBL2972099

SCHEMBL2972099

Cc1ccc(-c2ccc(-c3ccnc(NCCN4CCNC4=O)n3)s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.47
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
IKBKB O14920 1/20 0.40
DKK1 O94907 1/20 0.40
GSK3B P49841 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
RAF1 P04049 4/20 0.40
IRAK1 P51617 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SCN9A Q15858 4/20 0.38
EIF2AK2 P19525 2/20 0.38
CDC7 O00311 1/20 0.37
CDK2 P24941 2/20 0.37
CLK1 P49759 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL2988388 0.98 BRAF (0.49) BRAFADORA2AADORA1IKBKBDKK1
SCHEMBL2979570 0.87 BRAF (0.46) BRAFADORA2AADORA1RAB9AKMT2A
SCHEMBL2983611 0.86 BRAF (0.47) BRAFADORA2AADORA1MKNK1RAF1
SCHEMBL2984342 0.86 BRAF (0.50) BRAFADORA2AADORA1RAB9AKMT2A
SCHEMBL2973478 0.86 BRAF (0.52) BRAFADORA2AADORA1RAB9AKMT2A
SCHEMBL2983500 0.85 BRAF (0.46) BRAFADORA2AADORA1RAB9AKMT2A
SCHEMBL2986359 0.84 BRAF (0.47) BRAFADORA2AADORA1RAB9AKMT2A
SCHEMBL2988386 0.84 SCN9A (0.44) BRAFIKBKBMKNK1RAF1SCN9A
SCHEMBL2986664 0.84 BRAF (0.45) BRAFADORA2AADORA1MKNK1RAF1
SCHEMBL2973506 0.83 BRAF (0.46) BRAFADORA2AADORA1IKBKBRAB9A

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

“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.