SCHEMBL2816575

SCHEMBL2816575

Cc1cc(NC(=O)Nc2ccc(-c3ccnc4[nH]ncc34)cc2)ccc1CN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.53
KIT P10721 7/20 0.53
PDGFRA P16234 6/20 0.53
FLT3 P36888 3/20 0.51
FGFR4 P22455 4/20 0.47
DDR2 Q16832 1/20 0.46
RET P07949 3/20 0.45
SRC P12931 2/20 0.45
CSF1R P07333 2/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
AURKA O14965 1/20 0.44
ROCK2 O75116 1/20 0.44
ERBB2 P04626 1/20 0.44
RPS6KB1 P23443 1/20 0.44
TYK2 P29597 1/20 0.44
AKT1 P31749 1/20 0.44
RPS6KA3 P51812 1/20 0.44
STK3 Q13188 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL2821099 0.88 SRC (0.61) KDRFGFR4RETSRCCDK1
SCHEMBL2820436 0.85 KDR (0.48) KDRKITPDGFRAFLT3FGFR4
SCHEMBL2820492 0.83 KDR (0.66) KDRKITPDGFRAFLT3RET
SCHEMBL2822774 0.79 KIT (0.66) KDRKITPDGFRAFLT3FGFR4
SCHEMBL13873267 0.78 KDR (0.51) KDRKITPDGFRAFLT3FGFR4
SCHEMBL2818627 0.74 FGFR4 (0.56) KDRFGFR4RETSRCCDK1
SCHEMBL2817514 0.74 AURKA (0.62) KDRKITPDGFRAFLT3CSF1R
SCHEMBL2818510 0.74 SRC (0.60) KDRFGFR4RETSRCCDK1
SCHEMBL13873004 0.73 SRC (0.61) KDRFGFR4RETSRCCDK1
SCHEMBL12973294 0.73 KDR (0.56) KDRKITPDGFRAFLT3FGFR4

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 12 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
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
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
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
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
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

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 1/4885KIT 18/4885PDGFRA 13/4885

“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.