SCHEMBL2820577

SCHEMBL2820577

Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCOCC3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.51
BRAF P15056 2/20 0.51
TRPV4 Q9HBA0 6/20 0.49
EPHX2 P34913 5/20 0.49
KMT2A Q03164 1/20 0.49
LCK P06239 3/20 0.49
FYN P06241 3/20 0.49
CSF1R P07333 3/20 0.49
LYN P07948 3/20 0.49
KIT P10721 3/20 0.49
SRC P12931 3/20 0.49
FLT1 P17948 3/20 0.49
FLT4 P35916 3/20 0.49
BLK P51451 3/20 0.49
ABL1 P00519 2/20 0.49
FLT3 P36888 2/20 0.49
JAK2 O60674 2/20 0.49
MAP4K4 O95819 2/20 0.49
NTRK1 P04629 2/20 0.49
MET P08581 2/20 0.49

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
SCHEMBL2816674 0.92 HTR2A (0.51) BRAFEPHX2LCKFYNCSF1R
SCHEMBL12973326 0.92 KDR (0.50) BRAFEPHX2LCKFYNCSF1R
SCHEMBL12973409 0.91 KMT2A (0.47) TRPV4EPHX2KMT2ALCKFYN
SCHEMBL12973410 0.91 EPHX2 (0.48) TRPV4EPHX2KMT2ALCKFYN
SCHEMBL12973412 0.91 ERN1 (0.49) TRPV4LCKFYNCSF1RLYN
SCHEMBL2816982 0.90 LCK (0.48) KMT2ALCKFYNCSF1RLYN
SCHEMBL2822910 0.90 MTOR (0.49) EPHX2KITFLT3KDR
SCHEMBL2817361 0.89 KDR (0.56) LCKFYNCSF1RLYNKIT
SCHEMBL2818578 0.89 IKBKE (0.58) RAF1BRAFEPHX2CSF1RKIT
SCHEMBL2821203 0.89 KDR (0.48) RAF1BRAFLCKFYNCSF1R

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 15 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
CN-101528742-A Substituted aminopyrazolopyridines and salts thereof, preparation thereof and pharmaceutical compositions comprising them BAYER SCHERING PHARMA AG (DE) 2009-09-09 CN 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
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
CN-101528742-A Substituted aminopyrazolopyridines and salts thereof, preparation thereof and pharmaceutical compositions comprising them BAYER SCHERING PHARMA AG (DE) 2009-09-09 CN 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
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
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
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 RAF1 299/4885BRAF 528/4885TRPV4 1318/4885

“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.