SCHEMBL4255774

SCHEMBL4255774

CC(C)(C)n1nc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c(C(N)=O)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.59
SRC P12931 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MET P08581 1/20 0.49
PDGFRB P09619 1/20 0.49
CDK8 P49336 1/20 0.49
ROCK1 Q13464 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
AURKB Q96GD4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
KDR P35968 5/20 0.48
LCK P06239 2/20 0.48
ABL1 P00519 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48

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
SCHEMBL4261925 0.89 RIPK2 (0.69) RIPK2SRCPDGFRBAURKBKDR
SCHEMBL4254915 0.87 KDR (0.56) MEN1KMT2AMETPDGFRBCDK8
SCHEMBL4260583 0.86 KDR (0.55) RIPK2SRCMEN1KMT2AMET
SCHEMBL4257460 0.86 RIPK2 (0.62) RIPK2SRCMEN1KMT2APDGFRB
SCHEMBL4265907 0.85 RIPK2 (0.61) RIPK2SRCPDGFRBKDRLCK
SCHEMBL4262460 0.85 RIPK2 (0.74) RIPK2SRCKDRLCKTGFBR1
SCHEMBL4265352 0.84 RIPK2 (0.61) RIPK2SRCPDGFRBKDRLCK
SCHEMBL4257241 0.84 RIPK2 (0.55) RIPK2SRCKMT2APDGFRBKDR
SCHEMBL4263207 0.81 RIPK2 (0.56) RIPK2SRCMEN1KMT2APDGFRB
SCHEMBL4261322 0.81 RIPK2 (0.59) RIPK2SRC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307097-B2 Chemical compounds SMITHKLINE BEECHMAN CORPORATION (US) 2007-12-11 US claimed
EP-1436265-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP claimed
EP-1436265-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP claimed
WO-2003072541-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-04 WO claimed
US-20090012309-A1 CHEMICAL COMPOUNDS ADAMS JERRY LEROY 2009-01-08 US disclosed
US-7307097-B2 Chemical compounds SMITHKLINE BEECHMAN CORPORATION (US) 2007-12-11 US disclosed
EP-1436265-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
US-20040198986-A1 5-amino-1,3-substituted pyrazole-4-carboxylic acid amides of given formula, such as 5-Amino-1-tert-butyl-3-{4-[3-(2-fluoro-5-trifluoromethyl-phenyl)-ureido]-phenyl}-1H-pyrazole-4-carboxylic acid amide; treating cancer; receptor tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1436265-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP disclosed
WO-2003072541-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-04 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-20090012309-A1 CHEMICAL COMPOUNDS CYP11B2, CYP3A43, CYP3A5 RIPK2 2720/4885SRC 3149/4885MEN1 783/4885
US-20040198986-A1 5-amino-1,3-substituted pyrazole-4-carboxylic acid amides of given formula, such as 5-Amino-1-tert-butyl-3-{4-[3-(2-fluoro-5-trifluoromethyl-phenyl)-ureido]-phenyl}-1H-pyrazole-4-carboxylic acid amide; treating cancer; receptor tyrosine kinase inhibitors ERBB2, RET, ERBB4 RIPK2 786/4885SRC 32/4885MEN1 3797/4885

“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.