SCHEMBL2820539

SCHEMBL2820539

CN(C)CCCn1nc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccnc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.75
KIT P10721 12/20 0.75
FLT3 P36888 10/20 0.75
CSF1R P07333 9/20 0.75
FLT1 P17948 8/20 0.75
BLK P51451 6/20 0.75
FLT4 P35916 6/20 0.75
LCK P06239 5/20 0.75
LYN P07948 5/20 0.75
SRC P12931 4/20 0.75
FYN P06241 4/20 0.75
ABL1 P00519 3/20 0.75
AURKB Q96GD4 5/20 0.56
EPHA2 P29317 4/20 0.56
NTRK2 Q16620 4/20 0.56
ITK Q08881 3/20 0.56
RPS6KB1 P23443 3/20 0.56
JAK2 O60674 3/20 0.56
NTRK1 P04629 3/20 0.56
MAP4K2 Q12851 3/20 0.56

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
SCHEMBL2819596 0.86 KDR (0.57) KDRKITFLT3CSF1RFLT1
SCHEMBL1703605 0.86 KDR (1.00) KDRKITFLT3CSF1RFLT1
SCHEMBL13041876 0.85 KDR (0.56) KDRKITFLT3CSF1RFLT1
SCHEMBL2821489 0.81 KDR (0.59) KDRKITFLT3CSF1RFLT1
SCHEMBL13041872 0.81 KDR (0.58) KDRKITFLT3CSF1RFLT1
SCHEMBL13041877 0.78 KDR (0.54) KDRKITFLT3CSF1RFLT1
SCHEMBL1317552 0.76 KDR (0.62) KDRKITFLT3CSF1RFLT1
SCHEMBL2820488 0.76 KDR (0.63) KDRKITFLT3CSF1RFLT1
SCHEMBL13041886 0.76 KDR (0.64) KDRKITFLT3CSF1RFLT1
SCHEMBL424307 0.76 KIT (0.81) KDRKITFLT3CSF1RFLT1

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 7 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
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

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 1/4885KIT 18/4885FLT3 39/4885

“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.