SCHEMBL4257159

SCHEMBL4257159

Cn1nc(-c2ccc(NC(=O)Nc3cccc4ccccc34)cc2)c(C(N)=O)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
POLB P06746 5/20 0.49
CYP1A2 P05177 1/20 0.49
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDR P35968 1/20 0.47
FLT1 P17948 1/20 0.47
TEK Q02763 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 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
SCHEMBL4254795 0.87 RIPK2 (0.59) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL4254757 0.86 KDR (0.49) RAB9AMAPTKMT2AMEN1POLB
SCHEMBL4255792 0.85 POLB (0.54) MAPTPOLBCYP1A2KDRFLT1
SCHEMBL4262218 0.84 SRC (0.54) RAB9AKDM4EMAPTKMT2AMEN1
SCHEMBL6613867 0.81 KDR (0.62) KMT2AMEN1POLBSMN1; SMN2KDR
SCHEMBL4254735 0.81 KMT2A (0.48) KDM4EMAPTKMT2AALDH1A1TDP1
SCHEMBL4260093 0.80 AURKB (0.63) KDRFLT1TEKNTRK3KIT
SCHEMBL4263118 0.80 BTK (0.55) POLBCA12CA1CA2CA9
SCHEMBL4254915 0.79 KDR (0.56) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL4257340 0.78 MEN1 (0.50) MAPTKMT2AMEN1CYP1A2KDR

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 11 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
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 RAB9A 1681/4885KDM4E 3867/4885MAPT 1166/4885
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 RAB9A 1900/4885KDM4E 880/4885MAPT 2163/4885

“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.