SCHEMBL5623730

SCHEMBL5623730

CC(C)(C)n1nc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3F)cc2)c(C(N)=O)c1N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
RIPK2 O43353 11/20 0.49
SRC P12931 3/20 0.48
KDR P35968 2/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1E P49674 1/20 0.44
IKBKB O14920 1/20 0.44
LCK P06239 1/20 0.43
TGFBR1 P36897 1/20 0.43

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
SCHEMBL5623732 0.87 RIPK2 (0.49) RIPK2SRCKDRLCKTGFBR1
SCHEMBL4257241 0.84 RIPK2 (0.55) CA12CA1CA2CA9RIPK2
SCHEMBL4263207 0.83 RIPK2 (0.56) RIPK2SRCKDRKITFLT3
SCHEMBL4260583 0.82 KDR (0.55) RIPK1RIPK2SRCKDRKIT
SCHEMBL4258858 0.82 RET (0.55) RIPK1CA12CA1CA2CA9
SCHEMBL4265907 0.81 RIPK2 (0.61) RIPK2SRCKDRLCKTGFBR1
SCHEMBL4255820 0.80 KDR (0.54) RIPK2SRCKDRLCKTGFBR1
SCHEMBL4265352 0.80 RIPK2 (0.61) RIPK2SRCKDRLCKTGFBR1
SCHEMBL4262663 0.79 RIPK2 (0.58) RIPK1RIPK2SRCKDRCSNK1E
SCHEMBL4261925 0.79 RIPK2 (0.69) RIPK2SRCKDRFLT3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 RIPK1 1256/4885CA12 4504/4885CA1 4069/4885

“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.