SCHEMBL5068102

SCHEMBL5068102

COC(=O)C1CCC(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
NPC1 O15118 1/20 0.58
PKM P14618 3/20 0.55
EPHX2 P34913 1/20 0.54
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.52
POLB P06746 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL5068103 1.00 KMT2A (0.59) KMT2ANPC1PKMEPHX2MEN1
SCHEMBL2772035 0.77 NPC1 (0.54) KMT2ANPC1PKMEPHX2MEN1
SCHEMBL2360974 0.76 ALDH1A1 (0.84) KMT2ANPC1PKMMEN1ALDH1A1
SCHEMBL30896747 0.76 F2 (0.45) KMT2ANPC1PKMEPHX2MEN1
SCHEMBL7981690 0.76 ALDH1A1 (0.58) KMT2ANPC1PKMEPHX2MEN1
SCHEMBL18177873 0.74 KMT2A (1.00) KMT2ANPC1PKMMEN1ALDH1A1
SCHEMBL18794854 0.74 ALDH1A1 (0.54) KMT2ANPC1PKMEPHX2MEN1
SCHEMBL18794843 0.74 ALDH1A1 (0.54) KMT2ANPC1PKMEPHX2MEN1
SCHEMBL18794846 0.74 ALDH1A1 (0.54) KMT2ANPC1PKMEPHX2MEN1
SCHEMBL14477865 0.74 PKM (0.69) KMT2ANPC1PKMMEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 EP disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 US disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 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-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 KMT2A 638/4885NPC1 3105/4885PKM 332/4885

“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.