SCHEMBL2904038

SCHEMBL2904038

N#Cc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)ccnc1NN(C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.55
KIT P10721 8/20 0.55
FLT3 P36888 8/20 0.55
FLT1 P17948 7/20 0.55
CSF1R P07333 6/20 0.55
FLT4 P35916 6/20 0.55
LCK P06239 5/20 0.55
LYN P07948 4/20 0.55
BLK P51451 4/20 0.55
ABL1 P00519 3/20 0.55
FYN P06241 3/20 0.55
SRC P12931 3/20 0.55
RIPK1 Q13546 2/20 0.54
GSK3B P49841 4/20 0.50
NTRK1 P04629 4/20 0.50
NTRK2 Q16620 4/20 0.50
FGFR1 P11362 4/20 0.50
GSK3A P49840 3/20 0.50
PLK4 O00444 3/20 0.50
AURKA O14965 3/20 0.50

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
SCHEMBL2906525 0.90 GSK3B (0.47) KDRKITFLT3FLT1CSF1R
SCHEMBL2239078 0.89 KDR (0.51) KDRKITFLT3FLT1CSF1R
SCHEMBL1703031 0.84 KDR (0.60) KDRKITFLT3FLT1CSF1R
SCHEMBL2905843 0.84 KDR (0.54) KDRKITFLT3FLT1CSF1R
SCHEMBL14270630 0.81 KDR (0.55) KDRKITFLT3FLT1CSF1R
SCHEMBL2238724 0.80 GSK3B (0.43) KDRKITFLT3FLT1CSF1R
SCHEMBL2241173 0.77 KDR (0.49) KDRKITFLT3FLT1CSF1R
SCHEMBL2242548 0.77 KDR (0.50) KDRKITFLT3FLT1CSF1R
SCHEMBL1702846 0.77 RIPK1 (0.54) KDRKITFLT3FLT1CSF1R
SCHEMBL2239105 0.76 RAF1 (0.52) KDRKITFLT3FLT1CSF1R

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 4 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
EP-1845978-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-24 EP disclosed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 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 (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 KDR 2947/4885KIT 358/4885FLT3 121/4885

“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.