SCHEMBL1858043

SCHEMBL1858043

COc1ccc(Cn2ncc3c(-c4ccc(NC(=O)Nc5cccc(C(F)(F)F)c5)cc4)cncc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.58
LCK P06239 2/20 0.58
FYN P06241 2/20 0.58
CSF1R P07333 2/20 0.58
LYN P07948 2/20 0.58
KIT P10721 2/20 0.58
SRC P12931 2/20 0.58
FLT1 P17948 2/20 0.58
FLT4 P35916 2/20 0.58
BLK P51451 2/20 0.58
GSK3B P49841 2/20 0.58
DYRK3 O43781 1/20 0.58
JAK2 O60674 1/20 0.58
ROCK2 O75116 1/20 0.58
MAP4K4 O95819 1/20 0.58
EGFR P00533 1/20 0.58
INSR P06213 1/20 0.58
RET P07949 1/20 0.58
MET P08581 1/20 0.58
FGFR1 P11362 1/20 0.58

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
SCHEMBL1853368 0.90 KIT (0.61) NTRK1LCKFYNCSF1RLYN
SCHEMBL3852682 0.86 KIT (0.66) NTRK1LCKFYNCSF1RLYN
SCHEMBL3846478 0.85 CSF1R (0.64) NTRK1LCKFYNCSF1RLYN
SCHEMBL3846445 0.84 KIT (0.66) NTRK1LCKFYNCSF1RLYN
SCHEMBL3842232 0.82 KIT (0.70) NTRK1LCKFYNCSF1RLYN
SCHEMBL13873276 0.82 KIT (0.61) NTRK1LCKFYNCSF1RLYN
SCHEMBL3847364 0.81 KIT (0.65) NTRK1LCKFYNCSF1RLYN
SCHEMBL13873329 0.81 KIT (0.60) NTRK1LCKFYNCSF1RLYN
SCHEMBL13872993 0.81 CSF1R (0.62) NTRK1LCKFYNCSF1RLYN
SCHEMBL3844772 0.80 MAPT (0.52) NTRK1LCKFYNCSF1RLYN

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-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US claimed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
EP-2042500-A1 N-[4-(1-H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-[(hetero)aryl]-urea compounds, pharmaceutical compositions comprising them, their preparation and their use as Tie2-kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-01 EP disclosed
US-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. BAYER SCHERING PHARMA AG (DE) 2009-03-05 US disclosed
US-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. BAYER SCHERING PHARMA AG (DE) 2009-03-05 US disclosed
WO-2008071456-A2 3-H-PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (2 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 NTRK1 321/4885LCK 2085/4885FYN 1500/4885
US-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. KDR, FLT4, TIE1 NTRK1 2319/4885LCK 794/4885FYN 249/4885

“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.