SCHEMBL4337397

SCHEMBL4337397

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.62
FYN P06241 5/20 0.61
RET P07949 2/20 0.56
PIK3CD O00329 1/20 0.49
SLC2A1 P11166 1/20 0.48
BRAF P15056 1/20 0.47
STK4 Q13043 1/20 0.47
STK3 Q13188 1/20 0.47
LRRK2 Q5S007 1/20 0.47
PIM1 P11309 3/20 0.47
JAK2 O60674 3/20 0.45
JAK3 P52333 2/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
PTK2 Q05397 1/20 0.45
MAPKAPK5 Q8IW41 1/20 0.45

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
SCHEMBL14308675 0.92 PIK3CG (0.63) PIK3CGFYNRETPIK3CDSLC2A1
SCHEMBL4692793 0.91 FYN (0.65) PIK3CGFYNRETPIK3CDSLC2A1
SCHEMBL4334294 0.87 FYN (0.56) PIK3CGFYNRETPIK3CDSLC2A1
SCHEMBL16784348 0.86 FYN (0.66) PIK3CGFYNRETSLC2A1PIM1
SCHEMBL4338988 0.85 BRAF (0.64) PIK3CGFYNRETSLC2A1BRAF
SCHEMBL4595046 0.84 FYN (0.66) FYNRETSLC2A1PIM1
SCHEMBL4595343 0.83 FYN (0.57) PIK3CGFYNRETPIK3CDSLC2A1
SCHEMBL4595336 0.83 FYN (0.57) PIK3CGFYNRETPIK3CDSLC2A1
SCHEMBL4325795 0.82 JAK3 (0.66) FYNPIK3CDPIM1JAK2JAK3
SCHEMBL4335453 0.82 FYN (0.82) PIK3CGFYNPIM1JAK2JAK3

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 PIK3CG 756/4885FYN 151/4885RET 911/4885

“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.