SCHEMBL2817529

SCHEMBL2817529

Cc1nn(C)c2nc(S(C)(=O)=O)cc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.51
CSF1R P07333 5/20 0.51
KIT P10721 5/20 0.51
BLK P51451 4/20 0.51
FLT1 P17948 4/20 0.51
FLT4 P35916 4/20 0.51
FLT3 P36888 4/20 0.51
LCK P06239 3/20 0.51
LYN P07948 3/20 0.51
SRC P12931 3/20 0.51
ABL1 P00519 2/20 0.51
FYN P06241 2/20 0.51
S1PR2 O95136 3/20 0.44
PDGFRA P16234 1/20 0.43
IDH2 P48735 4/20 0.43
JAK2 O60674 2/20 0.42
NTRK1 P04629 2/20 0.42
RPS6KB1 P23443 2/20 0.42
EPHA2 P29317 2/20 0.42
CLK2 P49760 2/20 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
SCHEMBL2817191 0.87 KDR (0.60) KDRCSF1RKITBLKFLT1
SCHEMBL2820177 0.78 KDR (0.58) KDRCSF1RKITBLKFLT1
SCHEMBL2817524 0.73 FLT3 (0.47) KDRCSF1RKITBLKFLT1
SCHEMBL2818613 0.71 PDE5A (0.39) CSF1RKITBLKS1PR2JAK2
SCHEMBL3844624 0.70 MAP4K2 (0.53) KDRCSF1RKITBLKFLT1
SCHEMBL2818588 0.69 S1PR2 (0.46) KDRCSF1RKITBLKFLT1
SCHEMBL2816726 0.69 KDR (0.46) KDRCSF1RKITBLKFLT1
SCHEMBL1703605 0.68 KDR (1.00) KDRCSF1RKITBLKFLT1
SCHEMBL2816788 0.68 PDE5A (0.42) S1PR2JAK2JAK3PTK2CHEK1
SCHEMBL2816193 0.67 KDR (0.58) KDRCSF1RKITBLKFLT1

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
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP claimed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US claimed
EP-2061790-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-27 EP claimed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US claimed
WO-2007144204-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 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
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
EP-2061790-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-27 EP disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 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

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-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 KDR 1/4885CSF1R 944/4885KIT 18/4885

“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.