SCHEMBL5265879

SCHEMBL5265879

CN1CCN(CCOc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(-c3cc(C(C)(C)C)nc4c3c(N)nn4C)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.49
KIT P10721 8/20 0.49
FLT3 P36888 7/20 0.49
CSF1R P07333 5/20 0.49
BLK P51451 4/20 0.49
FLT1 P17948 4/20 0.49
LCK P06239 3/20 0.49
LYN P07948 3/20 0.49
SRC P12931 3/20 0.49
FLT4 P35916 3/20 0.49
ABL1 P00519 2/20 0.49
FYN P06241 2/20 0.49
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
RET P07949 3/20 0.43
NTRK2 Q16620 2/20 0.43
AURKB Q96GD4 2/20 0.43
DYRK3 O43781 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL2816854 0.95 HTR2A (0.51) KDRKITFLT3CSF1RBLK
SCHEMBL2816687 0.88 KDR (0.51) KDRKITFLT3CSF1RBLK
SCHEMBL2820623 0.87 HTR2A (0.48) KDRFLT3HTR2AHTR2CTEK
SCHEMBL14339725 0.83 HTR2A (0.43) KDRKITFLT3CSF1RBLK
SCHEMBL2819399 0.82 KIT (0.51) KDRKITFLT3CSF1RBLK
SCHEMBL12973381 0.82 HTR2A (0.54) HTR2AHTR2C
SCHEMBL2816741 0.81 ABL1 (0.51) KDRKITFLT3CSF1RBLK
SCHEMBL2818557 0.80 CSF1R (0.48) KDRKITFLT3CSF1RBLK
SCHEMBL2818570 0.79 CDK1 (0.55) KDRKITFLT3CSF1RBLK
SCHEMBL2816625 0.79 KDR (0.73) KDRKITFLT3CSF1RBLK

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 6 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-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 1/4885KIT 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.