Sugi Predict

Sugi Predict / Compounds / SCHEMBL13872995

SCHEMBL13872995

SCHEMBL13872995

O=C(Nc1ccc(-c2cncc3c2cnn3CCCN2CCOCC2)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ EGFR P00533 1/20 0.57
▸ NTRK1 P04629 1/20 0.57
▸ INSR P06213 1/20 0.57
▸ LCK P06239 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ CSF1R P07333 1/20 0.57
▸ LYN P07948 1/20 0.57
▸ RET P07949 1/20 0.57
▸ MET P08581 1/20 0.57
▸ KIT P10721 1/20 0.57
▸ FGFR1 P11362 1/20 0.57
▸ SRC P12931 1/20 0.57
▸ FER P16591 1/20 0.57
▸ FLT1 P17948 1/20 0.57
▸ RPS6KB1 P23443 1/20 0.57
▸ EPHA2 P29317 1/20 0.57

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
SCHEMBL14160225 0.92 TRPV4 (0.51) DYRK3JAK2ROCK2MAP4K4EGFR
SCHEMBL3846445 0.87 KIT (0.66) DYRK3JAK2ROCK2MAP4K4EGFR
SCHEMBL13872993 0.85 CSF1R (0.62) DYRK3JAK2ROCK2MAP4K4EGFR
SCHEMBL3852682 0.83 KIT (0.66) DYRK3JAK2ROCK2MAP4K4EGFR
SCHEMBL3846478 0.83 CSF1R (0.64) DYRK3JAK2ROCK2MAP4K4EGFR
SCHEMBL3847364 0.82 KIT (0.65) DYRK3JAK2ROCK2MAP4K4EGFR
SCHEMBL2819646 0.82 EPHX2 (0.52) JAK2MAP4K4NTRK1LCKFYN
SCHEMBL12973388 0.82 FLT3 (0.56) JAK2MAP4K4NTRK1LCKFYN
SCHEMBL3842232 0.81 KIT (0.70) DYRK3JAK2ROCK2MAP4K4EGFR
SCHEMBL13873276 0.81 KIT (0.61) DYRK3JAK2ROCK2MAP4K4EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 DYRK3 406/4885JAK2 51/4885ROCK2 105/4885

“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.