SCHEMBL3747047

SCHEMBL3747047

CCOC(=O)C1(c2cc(-c3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)c(C#N)c(OS(=O)(=O)C(F)(F)F)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 11/20 0.44
BRAF P15056 1/20 0.42
DGAT1 O75907 4/20 0.40
IDH1 O75874 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2817714 0.95 DGAT1 (0.44) IDH2DGAT1IDH1MEN1KMT2A
SCHEMBL2819395 0.88 MET (0.43) IDH2DGAT1MEN1KMT2ALMNA
SCHEMBL3737061 0.84 SQOR (0.39) MEN1KMT2ALMNAMAPTHTT
SCHEMBL3734425 0.81 PDE4A (0.39) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL2821100 0.80 KDR (0.43) MAPTSMN1; SMN2
SCHEMBL2819362 0.80 SQOR (0.38) MEN1KMT2ALMNAMAPTHTT
SCHEMBL2816798 0.79 IDH1 (0.46) IDH2IDH1MEN1KMT2ALMNA
SCHEMBL2816155 0.79 KDR (0.53) IDH2BRAFIDH1MEN1KMT2A
SCHEMBL2818501 0.77 IKBKB (0.38) MEN1KMT2ALMNAGAAMAPT
SCHEMBL3734776 0.77 KDR (0.55) BRAFDGAT1

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-2032572-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-03-12 EP 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-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
EP-2032572-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-11 EP 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
WO-2007144202-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO disclosed
WO-2007144202-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-20090018129-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, TEK IDH2 445/4885BRAF 1296/4885DGAT1 4553/4885

“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.