SCHEMBL1703063

SCHEMBL1703063

Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.77
KIT P10721 9/20 0.77
FLT3 P36888 9/20 0.77
CSF1R P07333 7/20 0.77
FLT1 P17948 7/20 0.77
LYN P07948 5/20 0.77
FLT4 P35916 5/20 0.77
BLK P51451 5/20 0.77
FYN P06241 4/20 0.77
LCK P06239 4/20 0.77
ABL1 P00519 4/20 0.77
SRC P12931 4/20 0.77
RIPK1 Q13546 3/20 0.66
GSK3B P49841 4/20 0.60
PLK4 O00444 4/20 0.60
AURKA O14965 4/20 0.60
MAPK13 O15264 4/20 0.60
NTRK1 P04629 4/20 0.60
MET P08581 4/20 0.60
FGFR1 P11362 4/20 0.60

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
SCHEMBL14294640 0.92 KDR (0.65) KDRKITFLT3CSF1RFLT1
SCHEMBL2238236 0.91 KDR (0.64) KDRKITFLT3CSF1RFLT1
SCHEMBL12346395 0.90 KDR (0.63) KDRKITFLT3CSF1RFLT1
SCHEMBL2239754 0.89 KDR (0.62) KDRKITFLT3CSF1RFLT1
SCHEMBL2235077 0.88 KDR (0.61) KDRKITFLT3CSF1RFLT1
SCHEMBL2237544 0.88 KDR (0.60) KDRKITFLT3CSF1RFLT1
SCHEMBL1702899 0.87 KDR (0.76) KDRKITFLT3CSF1RFLT1
SCHEMBL421901 0.87 KDR (0.80) KDRKITFLT3CSF1RFLT1
SCHEMBL1702780 0.86 KDR (0.77) KDRKITFLT3CSF1RFLT1
SCHEMBL2236724 0.86 KDR (0.58) KDRKITFLT3CSF1RFLT1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807424-B1 NOVEL KINASE INHIBITORS ABBOTT LAB (US) 2012-04-18 EP claimed
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 US claimed
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 claimed
CN-101146534-A Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA SA (FR) 2008-03-19 CN claimed
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 claimed
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 claimed
EP-1807424-A2 NOVEL KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-18 EP claimed
US-20060178378-A1 Novel kinase inhibitors ABBVIE INC. 2006-08-10 US claimed
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 claimed
WO-2006050109-A2 NOVEL KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-05-11 WO claimed
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP disclosed
EP-1807424-B1 NOVEL KINASE INHIBITORS ABBOTT LAB (US) 2012-04-18 EP disclosed
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US 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
WO-2007144204-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO 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
US-20060178378-A1 Novel kinase inhibitors ABBVIE INC. 2006-08-10 US 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 (3 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-20060178378-A1 Novel kinase inhibitors ABL1, MAP3K19, MAP3K20 KDR 434/4885KIT 426/4885FLT3 79/4885
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 KDR 2947/4885KIT 358/4885FLT3 121/4885
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.