SCHEMBL4558908

SCHEMBL4558908

CC(C)c1ccc(Nc2ccn3ncc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.60
PIK3CG P48736 2/20 0.59
PIM1 P11309 4/20 0.54
RET P07949 3/20 0.49
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CLK4 Q9HAZ1 5/20 0.45
CYP2D6 P10635 4/20 0.45
USP2 O75604 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TGFBR2 P37173 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4595396 0.90 FYN (0.64) FYNPIK3CGPIM1RETCYP1A2
SCHEMBL4595931 0.87 FYN (0.62) FYNPIK3CGPIM1RETTGFBR2
SCHEMBL4342772 0.85 FYN (0.59) FYNPIK3CGPIM1RETCYP1A2
SCHEMBL4340636 0.84 FYN (0.83) FYNPIK3CGPIM1RETCYP1A2
SCHEMBL4557172 0.83 PIK3CG (0.69) FYNPIK3CGPIM1RETTGFBR2
SCHEMBL4326759 0.83 FYN (0.65) FYNPIK3CGPIM1RETTGFBR2
SCHEMBL102515 0.83 FYN (0.62) FYNPIM1RETCYP1A2CYP3A4
SCHEMBL4340695 0.83 FYN (0.74) FYNPIK3CGPIM1RETCYP1A2
SCHEMBL4557278 0.82 FYN (0.70) FYNPIK3CGPIM1RETTGFBR2
SCHEMBL4559083 0.82 PIK3CG (0.62) FYNPIK3CGPIM1RETTGFBR2

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 5 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
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 151/4885PIK3CG 756/4885PIM1 400/4885

“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.