SCHEMBL4331012

SCHEMBL4331012

Cc1ccc(S(=O)(=O)Nc2ccc(Nc3ccn4ncc(-c5cccc6cccnc56)c4n3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.64
TDP1 Q9NUW8 7/20 0.51
KMT2A Q03164 6/20 0.51
SLC40A1 Q9NP59 5/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
AGTR1 P30556 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MITF O75030 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR1 P21453 1/20 0.51
OPRK1 P41145 1/20 0.51
CKS1B P61024 1/20 0.51
SKP2 Q13309 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
FYN P06241 1/20 0.43
MEN1 O00255 5/20 0.41
GAA P10253 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
SCHEMBL4333565 0.83 PIM1 (0.72) PIM1KMT2AALDH1A1LMNAHTT
SCHEMBL4342892 0.82 PIM1 (0.70) PIM1KMT2AALDH1A1LMNAFYN
SCHEMBL4331376 0.81 PIM1 (0.54) PIM1KMT2ASLC40A1MAPTSMN1; SMN2
SCHEMBL4594529 0.80 PIM1 (0.66) PIM1KMT2AALDH1A1LMNAMAPT
SCHEMBL4333481 0.80 FYN (0.68) PIM1TDP1KMT2AHTTFYN
SCHEMBL178399 0.80 PIM1 (0.78) PIM1KMT2AMAPTFYNMEN1
SCHEMBL4339129 0.79 PIM1 (0.65) PIM1KMT2AALDH1A1LMNAMAPT
SCHEMBL4345378 0.78 PIM1 (0.63) PIM1KMT2AALDH1A1LMNAMAPT
SCHEMBL178324 0.78 PIM1 (1.00) PIM1TDP1KMT2AALDH1A1LMNA
SCHEMBL4333722 0.78 PIM1 (0.76) PIM1ALDH1A1LMNANPSR1SMN1; SMN2

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 400/4885TDP1 648/4885KMT2A 3287/4885

“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.