SCHEMBL2821058

SCHEMBL2821058

CC(C)(C)c1cc(-c2ccc(N)cc2)c2c(N)n[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.44
KIT P10721 3/20 0.44
FLT3 P36888 3/20 0.44
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 4/20 0.34
PRKACA P17612 4/20 0.34
ROCK1 Q13464 4/20 0.34
GSK3B P49841 4/20 0.34
LCK P06239 3/20 0.34
CSF1R P07333 3/20 0.34
FGFR1 P11362 3/20 0.34
AURKA O14965 3/20 0.34
AURKB Q96GD4 3/20 0.34
MAP4K4 O95819 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
ABL1 P00519 2/20 0.34

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
SCHEMBL2228840 0.92 KDR (0.42) KDRKITFLT3NPC1RAB9A
SCHEMBL14367013 0.89 KDR (0.52) KDRKITFLT3JAK2PRKACA
SCHEMBL2230458 0.86 SQOR (0.39) MAP4K4MARK3GSK3ALRRK2SGK1
SCHEMBL2821053 0.85 LTK (0.46) KDRKITFLT3JAK2ROCK1
SCHEMBL2230678 0.85 JAK2 (0.42) KDRKITFLT3JAK2ROCK1
SCHEMBL2228242 0.84 DYRK1A (0.40) MAPTSMN1; SMN2CDK2DYRK1AALDH1A1
SCHEMBL2229794 0.84 BTK (0.51) KDRLCKSRC
SCHEMBL2203347 0.82 JAK2 (0.31) KDRKITFLT3JAK2
SCHEMBL2818625 0.81 KDR (0.48) KDRKITFLT3NPC1RAB9A
SCHEMBL2817289 0.81 KDR (0.60) KDRKITFLT3JAK2PRKACA

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
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US claimed
EP-1841767-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE Bayer Schering Pharma AG (DE) 2007-10-10 EP claimed
WO-2006077168-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE BAYER SCHERING PHARMA AG. (DE) 2006-07-27 WO claimed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
EP-1841767-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE Bayer Schering Pharma AG (DE) 2007-10-10 EP disclosed
US-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-09 US disclosed
WO-2006077168-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE BAYER SCHERING PHARMA AG. (DE) 2006-07-27 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-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same TEK, TIE1, KDR KDR 3/4885KIT 8/4885FLT3 40/4885

“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.