SCHEMBL12973409

SCHEMBL12973409

CCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCOCC3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
TRPV4 Q9HBA0 5/20 0.47
EPHX2 P34913 3/20 0.46
KDR P35968 3/20 0.45
PIK3CA P42336 3/20 0.44
MTOR P42345 3/20 0.44
KIT P10721 4/20 0.44
LCK P06239 3/20 0.44
FYN P06241 3/20 0.44
CSF1R P07333 3/20 0.44
LYN P07948 3/20 0.44
SRC P12931 3/20 0.44
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
BLK P51451 3/20 0.44
FLT3 P36888 3/20 0.44
JAK2 O60674 2/20 0.44
MAP4K4 O95819 2/20 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
SCHEMBL12973410 0.93 EPHX2 (0.48) KMT2ATHRBTRPV4EPHX2KDR
SCHEMBL2820577 0.91 RAF1 (0.51) KMT2ATHRBTRPV4EPHX2KDR
SCHEMBL2816674 0.83 HTR2A (0.51) EPHX2KDRKITLCKFYN
SCHEMBL12973326 0.83 KDR (0.50) THRBEPHX2KDRKITLCK
SCHEMBL14339729 0.83 TRPV4 (0.49) KMT2ATRPV4EPHX2KDRKIT
SCHEMBL12973412 0.82 ERN1 (0.49) TRPV4KDRKITLCKFYN
SCHEMBL2819646 0.82 EPHX2 (0.52) KMT2ATRPV4EPHX2KITLCK
SCHEMBL2816982 0.81 LCK (0.48) KMT2AMEN1KDRKITLCK
SCHEMBL12973388 0.80 FLT3 (0.56) KMT2ATRPV4EPHX2KDRKIT
SCHEMBL2816922 0.80 ALDH1A1 (0.49) KDRPIK3CAMTORKITFLT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KMT2A 1598/4885MEN1 1301/4885THRB 1426/4885

“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.