SCHEMBL4593720

SCHEMBL4593720

O=C(O)CCc1ccc(-c2cnn3ccc(Nc4cccc(Cl)c4)nc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
PIM1 P11309 12/20 0.48
PIM2 Q9P1W9 6/20 0.46
RET P07949 2/20 0.44
FYN P06241 3/20 0.43
PIK3CG P48736 1/20 0.43
FLT3 P36888 1/20 0.43
KDR P35968 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
SCHEMBL4337257 0.89 PIM1 (0.51) PIM1PIM2RETFYNPIK3CG
SCHEMBL4333215 0.84 PIM1 (0.55) PIM1PIM2RETFYNPIK3CG
SCHEMBL4331897 0.84 FYN (0.48) PIM1RETFYNPIK3CG
SCHEMBL4558581 0.82 FYN (0.65) PIM1RETFYNPIK3CG
SCHEMBL4327525 0.82 PIM1 (0.56) PIM1PIM2RETFYNPIK3CG
SCHEMBL4337422 0.81 FYN (0.53) PIM1PIM2RETFYNPIK3CG
SCHEMBL4333692 0.81 RET (0.62) PIM1RETFYNPIK3CG
SCHEMBL4326183 0.81 PIM1 (0.53) PIM1PIM2RETFYNPIK3CG
SCHEMBL4331325 0.80 PIK3CG (0.63) PIM1RETFYNPIK3CG
SCHEMBL13990605 0.80 PIM1 (0.56) PIM1PIM2RETFYNFLT3

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
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
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 DGAT1 4193/4885PIM1 400/4885PIM2 424/4885

“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.