SCHEMBL4336769

SCHEMBL4336769

Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccn4ncc(-c5ccsc5)c4n3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.67
FYN P06241 4/20 0.45
RET P07949 2/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
IDH2 P48735 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4342892 0.88 PIM1 (0.70) PIM1FYNRETGAAMEN1
SCHEMBL4333565 0.85 PIM1 (0.72) PIM1FYNRETCKS1BSKP2
SCHEMBL4339129 0.83 PIM1 (0.65) PIM1FYNRETGAAMEN1
SCHEMBL4337415 0.83 PIM1 (0.81) PIM1FYNRETGAAMEN1
SCHEMBL178399 0.82 PIM1 (0.78) PIM1FYNRETGAAMEN1
SCHEMBL4594896 0.81 PIM1 (0.67) PIM1FYNRETKMT2APIK3CG
SCHEMBL4340646 0.81 PIM1 (0.69) PIM1FYNMEN1KMT2APIK3CG
SCHEMBL178324 0.80 PIM1 (1.00) PIM1FYNRETGAAMEN1
SCHEMBL4333722 0.80 PIM1 (0.76) PIM1FYNPIK3CGLMNAALDH1A1
SCHEMBL178305 0.80 PIM1 (0.75) PIM1FYNRETGAAMEN1

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 7 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
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 PIM1 400/4885FYN 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.