SCHEMBL2816799

SCHEMBL2816799

Cn1ncc2c(-c3ccc(N)cc3)cc(CN3CCOCC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 3/20 0.41
PIK3CA P42336 3/20 0.39
MTOR P42345 2/20 0.39
CXCR4 P61073 1/20 0.39
HTR2C P28335 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GRM2 Q14416 1/20 0.37
JAK2 O60674 1/20 0.36
CFTR P13569 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LRRK2 Q5S007 1/20 0.36
AXL P30530 1/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36

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
SCHEMBL2822732 0.89 LMNA (0.44) HTR2CGRM2AXLFLT3TYRO3
SCHEMBL2818646 0.89 ALDH1A1 (0.40) HTR2CKDM4EAXLFLT3TYRO3
SCHEMBL2822910 0.81 MTOR (0.49) PIK3CAMTORFLT3
SCHEMBL2817361 0.77 KDR (0.56) JAK2AXLFLT3TYRO3
SCHEMBL2819652 0.77 S1PR2 (0.36) PIK3CAHTR2C
SCHEMBL2816922 0.76 ALDH1A1 (0.49) PIK3CAMTORSMN1; SMN2FLT3
SCHEMBL2818611 0.76 S1PR2 (0.38) PIK3CAMTOR
SCHEMBL14366816 0.75 KDM4E (0.38) KDM4EAXLFLT3TYRO3MERTK
SCHEMBL2819630 0.75 KDR (0.57) HTR2CAXLFLT3TYRO3MERTK
SCHEMBL2820577 0.75 RAF1 (0.51) HTR2CJAK2KMT2AAXLFLT3

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
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 ACVRL1 377/4885PIK3CA 325/4885MTOR 1892/4885

“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.