SCHEMBL4333692

SCHEMBL4333692

CC(=O)Nc1ccc(Nc2ccn3ncc(-c4ccc(CCC(=O)O)cc4)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.62
FYN P06241 4/20 0.48
PIK3CG P48736 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CLK1 P49759 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PIM1 P11309 2/20 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
SCHEMBL4331897 0.89 FYN (0.48) RETFYNPIK3CGPIM1
SCHEMBL4337257 0.89 PIM1 (0.51) RETFYNPIK3CGPIM1
SCHEMBL4558581 0.88 FYN (0.65) RETFYNPIK3CGPIM1
SCHEMBL4331325 0.81 PIK3CG (0.63) RETFYNPIK3CGPIM1
SCHEMBL4593720 0.81 DGAT1 (0.52) RETFYNPIK3CGPIM1
SCHEMBL4345387 0.80 RET (0.58) RETPIM1
SCHEMBL4331389 0.78 FYN (0.63) RETFYNPIK3CGKDM4EMEN1
SCHEMBL4328687 0.78 RET (0.71) RETPIM1
SCHEMBL4327456 0.77 RET (0.68) RETFYNPIK3CGKDM4EMEN1
SCHEMBL4337233 0.77 RET (0.76) RETFYNPIM1

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-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
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
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 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 RET 911/4885FYN 151/4885PIK3CG 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.