SCHEMBL4339129

SCHEMBL4339129

Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccn4ncc(-c5cccs5)c4n3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.65
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
FYN P06241 2/20 0.43
RET P07949 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA4 P22748 2/20 0.40
KDM4E B2RXH2 3/20 0.39
CA12 O43570 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 0.84 PIM1 (0.70) PIM1MEN1KMT2AALDH1A1LMNA
SCHEMBL4336769 0.83 PIM1 (0.67) PIM1MEN1KMT2AALDH1A1LMNA
SCHEMBL4333565 0.81 PIM1 (0.72) PIM1HTTMEN1KMT2AALDH1A1
SCHEMBL4594529 0.81 PIM1 (0.66) PIM1HTTMEN1KMT2AALDH1A1
SCHEMBL178399 0.80 PIM1 (0.78) PIM1MEN1KMT2AMAPTGAA
SCHEMBL4337415 0.80 PIM1 (0.81) PIM1MEN1KMT2AALDH1A1LMNA
SCHEMBL4337278 0.80 PIM1 (0.49) PIM1MAPTGAAFYNRET
SCHEMBL4331012 0.79 PIM1 (0.64) PIM1HTTMEN1KMT2AALDH1A1
SCHEMBL4344917 0.79 FYN (0.68) PIM1FYNRET
SCHEMBL4345378 0.79 PIM1 (0.63) PIM1MEN1KMT2AALDH1A1LMNA

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 PIM1 400/4885HTT 2931/4885MEN1 1803/4885

“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.