SCHEMBL2906525

SCHEMBL2906525

N#Cc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)nc2)ccnc1NN(C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.47
GSK3A P49840 5/20 0.47
CLK4 Q9HAZ1 4/20 0.47
DYRK3 O43781 3/20 0.47
DYRK1A Q13627 3/20 0.47
STK17A Q9UEE5 2/20 0.47
KDR P35968 11/20 0.44
CSF1R P07333 5/20 0.44
FLT1 P17948 5/20 0.44
LCK P06239 4/20 0.44
LYN P07948 4/20 0.44
KIT P10721 4/20 0.44
FLT3 P36888 4/20 0.44
BLK P51451 4/20 0.44
ABL1 P00519 4/20 0.44
FLT4 P35916 4/20 0.44
FYN P06241 3/20 0.44
SRC P12931 3/20 0.44
RIPK1 Q13546 5/20 0.43
TEK Q02763 3/20 0.42

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
SCHEMBL2904038 0.90 KDR (0.55) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL2238724 0.89 GSK3B (0.43) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL2239078 0.79 KDR (0.51) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL2238477 0.77 DYRK3 (0.47) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL2905843 0.74 KDR (0.54) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL1703031 0.74 KDR (0.60) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL2239754 0.72 KDR (0.62) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL14270630 0.72 KDR (0.55) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL14700065 0.70 MEN1 (0.65) GSK3BGSK3ACLK4DYRK3DYRK1A
SCHEMBL3879856 0.70 TEK (0.52) GSK3BGSK3ACLK4DYRK3DYRK1A

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
EP-1845978-B1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA SA (FR) 2010-08-18 EP disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 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-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 GSK3B 1534/4885GSK3A 1551/4885CLK4 1812/4885

“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.