SCHEMBL2819211

SCHEMBL2819211

Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(CN5CCOCC5)c(C(F)(F)F)c4)cc3)cc(C(C)(C)C)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.53
FLT3 P36888 6/20 0.53
ABL1 P00519 6/20 0.53
SRC P12931 5/20 0.53
KIT P10721 4/20 0.53
LCK P06239 2/20 0.53
CSF1R P07333 2/20 0.53
LYN P07948 2/20 0.53
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
BLK P51451 2/20 0.53
IKBKE Q14164 1/20 0.49
RET P07949 3/20 0.47
FYN P06241 1/20 0.47
CDK8 P49336 2/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
BCR P11274 1/20 0.45
ABL2 P42684 1/20 0.45
FGFR4 P22455 1/20 0.45

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
SCHEMBL2818570 0.93 CDK1 (0.55) KDRFLT3ABL1SRCKIT
SCHEMBL13041829 0.88 KDR (0.51) KDRFLT3ABL1SRCKIT
SCHEMBL12973400 0.86 RET (0.50) KDRABL1SRCIKBKERET
SCHEMBL2818595 0.83 KDR (0.55) KDRFLT3ABL1SRCKIT
SCHEMBL13041830 0.81 CDK1 (0.54) KDRFLT3ABL1SRCKIT
SCHEMBL2817402 0.81 KIT (0.49) KDRFLT3ABL1SRCKIT
SCHEMBL2816002 0.81 KDR (0.56) KDRFLT3ABL1SRCKIT
SCHEMBL2818557 0.80 CSF1R (0.48) KDRFLT3ABL1SRCKIT
SCHEMBL2817558 0.79 ABL1 (0.72) KDRFLT3ABL1SRCKIT
SCHEMBL2816625 0.79 KDR (0.73) KDRFLT3ABL1SRCKIT

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 8 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
EP-1867648-A1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them. Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-19 EP 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 39/4885ABL1 37/4885

“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.