SCHEMBL3852877

SCHEMBL3852877

COCCn1ncc2c(-c3ccc(N)c(F)c3)cncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.42
SCN9A Q15858 5/20 0.39
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN1 Q05586 1/20 0.35
CHRM1 P11229 1/20 0.34
KIT P10721 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
KDR P35968 3/20 0.34
FLT3 P36888 2/20 0.34
AURKA O14965 1/20 0.34
MAPK13 O15264 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 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
SCHEMBL3842776 0.85 PTGER3 (0.35) FEN1SCN9ADYRK1AGRIN2BGRIN1
SCHEMBL3846475 0.83 GSK3B (0.41) FEN1SCN9ADYRK1ANFATC1GSK3B
SCHEMBL3844570 0.82 MAP4K1 (0.37) FEN1SCN9ADYRK1AKITKDR
SCHEMBL15081331 0.76 NFATC1 (0.36) SCN9ADYRK1ANFATC1GSK3BTDP1
SCHEMBL3851759 0.74 KDR (0.43) DYRK1AGSK3BKITKDRFLT3
SCHEMBL3845655 0.72 KIT (0.53) DYRK1AGSK3BKITKDRFLT3
SCHEMBL3842710 0.72 KDR (0.64) DYRK1AKITKDRFLT3AURKA
SCHEMBL15081241 0.71 SCN9A (0.36) FEN1SCN9ACHRM1TDP1ALOX15
SCHEMBL3843611 0.70 KDR (0.49) DYRK1AGSK3BKITKDRFLT3
SCHEMBL3842274 0.70 CYP3A4 (0.49) SCN9AKITTDP1MINK1MAP3K20

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-2125808-A2 3-H-PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-02 EP 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
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
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
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 (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-20090062273-A1 3-H-pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same. KDR, FLT4, TIE1 FEN1 4474/4885SCN9A 1961/4885DYRK1A 871/4885

“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.