SCHEMBL4426084

SCHEMBL4426084

N#Cc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc(C2CCCCC2)nc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 2/20 0.45
KCNJ5 P48544 2/20 0.45
KCNJ3 P48549 2/20 0.45
DGAT1 O75907 2/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KDR P35968 8/20 0.42
IDH2 P48735 3/20 0.42
BRAF P15056 1/20 0.42
RIPK1 Q13546 1/20 0.42
NTRK2 Q16620 3/20 0.42
AURKB Q96GD4 3/20 0.42
JAK2 O60674 2/20 0.42
NTRK1 P04629 2/20 0.42
RET P07949 2/20 0.42
PDGFRB P09619 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
SCHEMBL4428021 0.98 DGAT1 (0.47) KCNJ6KCNJ5KCNJ3DGAT1MEN1
SCHEMBL4421882 0.96 DGAT1 (0.45) KCNJ6KCNJ5KCNJ3DGAT1MEN1
SCHEMBL2819466 0.92 KDR (0.44) KCNJ6KCNJ5KCNJ3DGAT1EPHX2
SCHEMBL2820485 0.90 KCNJ6 (0.46) KCNJ6KCNJ5KCNJ3DGAT1MEN1
SCHEMBL2819256 0.89 GAA (0.51) MEN1MAPTHTTKMT2AKDR
SCHEMBL2817036 0.88 KDR (0.46) KCNJ6KCNJ5KCNJ3DGAT1MEN1
SCHEMBL4431922 0.86 MEN1 (0.43) DGAT1MEN1MAPTHTTRAB9A
SCHEMBL2816155 0.85 KDR (0.53) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL2819593 0.83 MEN1 (0.47) MEN1MAPTHTTRAB9AKMT2A
SCHEMBL2816587 0.83 KDR (0.47) KCNJ6KCNJ5KCNJ3DGAT1MEN1

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 11 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 disclosed
EP-2032572-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-03-12 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-7825114-B2 Substituted aminopyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-7825114-B2 Substituted aminopyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-20090018129-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-01-15 US disclosed
US-20090018129-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-01-15 US disclosed
US-20090018129-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-01-15 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 (2 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 KCNJ6 215/4885KCNJ5 141/4885KCNJ3 203/4885
US-20090018129-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, TEK KCNJ6 124/4885KCNJ5 99/4885KCNJ3 117/4885

“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.