SCHEMBL4334294

SCHEMBL4334294

O=C(NCCO)c1cccc(-c2cnn3ccc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.56
JAK2 O60674 3/20 0.48
PIK3CG P48736 1/20 0.47
SLC2A1 P11166 1/20 0.46
PIK3CD O00329 1/20 0.46
PIM1 P11309 3/20 0.45
CAMK2D Q13557 1/20 0.44
CHEK1 O14757 1/20 0.44
RET P07949 2/20 0.44
BRAF P15056 1/20 0.44
PRKD1 Q15139 1/20 0.43
PIM2 Q9P1W9 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK10 P53779 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
JAK3 P52333 2/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL4692793 0.87 FYN (0.65) FYNJAK2PIK3CGSLC2A1PIK3CD
SCHEMBL4337397 0.87 PIK3CG (0.62) FYNJAK2PIK3CGSLC2A1PIK3CD
SCHEMBL4335455 0.84 FYN (0.57) FYNPIK3CGPIM1CAMK2DRET
SCHEMBL4338988 0.81 BRAF (0.64) FYNJAK2PIK3CGSLC2A1RET
SCHEMBL4335609 0.81 FYN (0.51) FYNPIK3CGSLC2A1PIM1CAMK2D
SCHEMBL16784348 0.80 FYN (0.66) FYNJAK2PIK3CGSLC2A1PIM1
SCHEMBL4595046 0.80 FYN (0.66) FYNSLC2A1PIM1RETPIM2
SCHEMBL4328626 0.80 FYN (0.77) FYNPIK3CGPIM1CAMK2DRET
SCHEMBL14308675 0.79 PIK3CG (0.63) FYNPIK3CGSLC2A1PIK3CDPIM1
SCHEMBL4595343 0.79 FYN (0.57) FYNJAK2PIK3CGSLC2A1PIK3CD

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-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK FYN 151/4885JAK2 49/4885PIK3CG 756/4885

“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.