SCHEMBL4254735

SCHEMBL4254735

Cn1nc(-c2ccc(NC(=O)Nc3c(F)cccc3F)cc2)c(C(N)=O)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDR P35968 7/20 0.46
PDGFRB P09619 4/20 0.46
AURKA O14965 1/20 0.44
IKBKE Q14164 1/20 0.44
AURKB Q96GD4 1/20 0.44
FLT3 P36888 2/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4255792 0.86 POLB (0.54) CA12CA1CA2CA9KDR
SCHEMBL4257241 0.86 RIPK2 (0.55) KMT2ACA12CA1CA2CA9
SCHEMBL6613867 0.85 KDR (0.62) KMT2AKDRPDGFRBAURKAIKBKE
SCHEMBL4260093 0.83 AURKB (0.63) KDRPDGFRBAURKAIKBKEAURKB
SCHEMBL4258772 0.83 KDR (0.56) KDRPDGFRBAURKAAURKBFLT3
SCHEMBL4254915 0.83 KDR (0.56) KMT2ACA12CA1CA2CA9
SCHEMBL4257173 0.82 KDR (0.58) KMT2AKDRPDGFRBAURKAAURKB
SCHEMBL4262218 0.81 SRC (0.54) KMT2ACA12CA1CA2CA9
SCHEMBL4254757 0.81 KDR (0.49) KMT2AKDRPDGFRBAURKAIKBKE
SCHEMBL4263118 0.81 BTK (0.55) CA12CA1CA2CA9POLB

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 KMT2A 2911/4885CA12 2237/4885CA1 3468/4885
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 KMT2A 1055/4885CA12 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.