SCHEMBL4258772

SCHEMBL4258772

Cn1nc(-c2ccc(NC(=O)Nc3cc(F)ccc3F)cc2)c(C(N)=O)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.56
PDGFRB P09619 6/20 0.56
FLT1 P17948 5/20 0.48
FLT3 P36888 5/20 0.48
LCK P06239 4/20 0.48
CSF1R P07333 4/20 0.48
KIT P10721 4/20 0.48
FLT4 P35916 4/20 0.48
RET P07949 4/20 0.47
LYN P07948 3/20 0.47
BLK P51451 3/20 0.47
NTRK2 Q16620 3/20 0.47
AURKB Q96GD4 3/20 0.47
AURKA O14965 2/20 0.47
ROCK2 O75116 2/20 0.47
RPS6KA5 O75582 2/20 0.47
MAP4K4 O95819 2/20 0.47
FGFR1 P11362 2/20 0.47
RPS6KB1 P23443 2/20 0.47
EPHA2 P29317 2/20 0.47

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
SCHEMBL4260549 0.88 RET (0.57) KDRPDGFRBFLT1FLT3LCK
SCHEMBL4255820 0.87 KDR (0.54) KDRPDGFRBLCKSRC
SCHEMBL4254735 0.83 KMT2A (0.48) KDRPDGFRBFLT1FLT3LCK
SCHEMBL4257340 0.82 MEN1 (0.50) KDRPDGFRBFLT1FLT3LCK
SCHEMBL6613867 0.81 KDR (0.62) KDRPDGFRBFLT1FLT3CSF1R
SCHEMBL4255792 0.80 POLB (0.54) KDRPDGFRBFLT1CSF1RAURKB
SCHEMBL4254757 0.80 KDR (0.49) KDRPDGFRBFLT1FLT3LCK
SCHEMBL4254915 0.79 KDR (0.56) KDRPDGFRBFLT1FLT3LCK
SCHEMBL4260093 0.78 AURKB (0.63) KDRPDGFRBFLT1FLT3LCK
SCHEMBL4262218 0.78 SRC (0.54) KDRPDGFRBFLT1KITAURKB

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
EP-1436265-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP 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
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
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

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 2728/4885FLT1 3586/4885
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 67/4885FLT1 35/4885

“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.