SCHEMBL4260583

SCHEMBL4260583

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.55
PDGFRB P09619 2/20 0.55
RIPK2 O43353 5/20 0.54
EPHA3 P29320 1/20 0.54
EPHB4 P54760 1/20 0.54
SRC P12931 3/20 0.53
FLT1 P17948 5/20 0.51
LCK P06239 4/20 0.51
LYN P07948 4/20 0.51
KIT P10721 4/20 0.51
FLT4 P35916 4/20 0.51
BLK P51451 4/20 0.51
FYN P06241 3/20 0.51
CSF1R P07333 3/20 0.51
FLT3 P36888 3/20 0.51
ROCK2 O75116 3/20 0.51
NTRK1 P04629 3/20 0.51
EPHA2 P29317 3/20 0.51
RPS6KA3 P51812 3/20 0.51
DYRK1A Q13627 3/20 0.51

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
SCHEMBL6602055 0.92 MEN1 (0.53) KDRPDGFRBSRCFLT1LCK
SCHEMBL4260556 0.91 RIPK2 (0.53) KDRPDGFRBRIPK2EPHA3EPHB4
SCHEMBL4257173 0.88 KDR (0.58) KDRPDGFRBEPHA3EPHB4SRC
SCHEMBL6614917 0.88 RIPK2 (0.51) KDRPDGFRBRIPK2EPHA3EPHB4
SCHEMBL6614602 0.87 RIPK2 (0.50) KDRPDGFRBRIPK2EPHA3EPHB4
SCHEMBL4261925 0.87 RIPK2 (0.69) KDRPDGFRBRIPK2SRCFLT1
SCHEMBL4255774 0.86 RIPK2 (0.59) KDRPDGFRBRIPK2SRCFLT1
SCHEMBL4258858 0.86 RET (0.55) KDRPDGFRBSRCFLT1LCK
SCHEMBL4262663 0.85 RIPK2 (0.58) KDRRIPK2SRCFLT1LCK
SCHEMBL6613292 0.85 KDR (0.55) KDRPDGFRBEPHA3EPHB4SRC

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 8 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
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 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 KDR 3847/4885PDGFRB 2728/4885RIPK2 2720/4885
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 KDR 191/4885PDGFRB 67/4885RIPK2 786/4885

“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.