SCHEMBL2819657

SCHEMBL2819657

Nc1n[nH]c2nc(C3CC3)cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.66
FLT3 P36888 10/20 0.66
KIT P10721 9/20 0.66
FLT1 P17948 6/20 0.60
CSF1R P07333 5/20 0.60
AURKB Q96GD4 4/20 0.60
FYN P06241 4/20 0.60
FLT4 P35916 4/20 0.60
NTRK1 P04629 3/20 0.60
NTRK2 Q16620 3/20 0.60
LCK P06239 3/20 0.60
LYN P07948 3/20 0.60
BLK P51451 3/20 0.60
AURKA O14965 2/20 0.60
EPHA2 P29317 2/20 0.60
RPS6KA3 P51812 2/20 0.60
MARK2 Q7KZI7 2/20 0.60
PLK4 O00444 1/20 0.60
ROCK2 O75116 1/20 0.60
CHEK2 O96017 1/20 0.60

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
SCHEMBL2818421 0.88 KDR (0.57) KDRFLT3KITFLT1CSF1R
SCHEMBL2819106 0.86 KDR (0.64) KDRFLT3KITFLT1CSF1R
SCHEMBL2817394 0.85 KDR (0.70) KDRFLT3KITFLT1CSF1R
SCHEMBL2816153 0.84 KDR (0.68) KDRFLT3KITFLT1CSF1R
SCHEMBL2817370 0.83 KDR (0.67) KDRFLT3KITFLT1CSF1R
SCHEMBL2819247 0.82 KDR (0.62) KDRFLT3KITFLT1CSF1R
SCHEMBL2818517 0.82 KDR (0.53) KDRFLT3KITFLT1CSF1R
SCHEMBL2821104 0.82 KDR (0.70) KDRFLT3KITFLT1CSF1R
SCHEMBL2201444 0.82 ADORA2A (0.41) KDRFLT3KITCDK2ABL1
SCHEMBL1702977 0.82 KDR (0.75) KDRFLT3KITFLT1CSF1R

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 9 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
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

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 KDR 1/4885FLT3 39/4885KIT 18/4885

“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.