SCHEMBL2972171

SCHEMBL2972171

COc1ccc2sc(-c3nc(NCCN4C(=O)NC(=O)C4(C)C)ncc3-c3cccc(N)c3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.35
CLK1 P49759 1/20 0.34
KIT P10721 2/20 0.33
CACNA2D1 P54289 1/20 0.33
TNK2 Q07912 1/20 0.33
ADORA1 P30542 4/20 0.33
ADORA2A P29274 2/20 0.33
ABL1 P00519 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
EGFR P00533 2/20 0.32
FLT3 P36888 2/20 0.32
BLK P51451 1/20 0.32
RAF1 P04049 1/20 0.32
PLAU P00749 1/20 0.32
SYK P43405 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL2975277 0.91 KDR (0.38) BRAFCLK1CACNA2D1TNK2ADORA1
SCHEMBL5147280 0.88 BRAF (0.37) BRAFCLK1KITCACNA2D1ADORA1
SCHEMBL2980347 0.84 PDE3B (0.36) CLK1TNK2PDE3BPDE3AMEN1
SCHEMBL2971724 0.83 PDE3B (0.35) CLK1TNK2PDE3BPDE3AMEN1
SCHEMBL2987755 0.83 ADORA1 (0.37) BRAFADORA1ABL1EGFR
SCHEMBL2984256 0.82 PLK1 (0.34) BRAFCACNA2D1ADORA1ADORA2AEGFR
SCHEMBL2975687 0.81 ADORA1 (0.38) ADORA1ADORA2AABL1USP2ALDH1A1
SCHEMBL2975957 0.81 ADORA1 (0.33) ADORA1ADORA2ACYP3A4
SCHEMBL2978018 0.80 HSD17B1 (0.39) BRAFADORA1ABL1EGFRFLT3
SCHEMBL2988700 0.80 ADORA1 (0.47) ADORA1ADORA2ACYP1A2CYP3A4HSD17B10

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 841/4885CLK1 363/4885KIT 1923/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 BRAF 841/4885CLK1 363/4885KIT 1923/4885

“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.