SCHEMBL5036048

SCHEMBL5036048

O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2ccncc2)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
POLB P06746 2/20 0.64
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 1/20 0.63
CYP19A1 P11511 1/20 0.61
HTT P42858 2/20 0.60
PKM P14618 1/20 0.60
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.57
ATM Q13315 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL5039039 0.87 CYP19A1 (0.76) KMT2AMEN1POLBALDH1A1CYP19A1
Dinsed SCHEMBL1814194 0.84 KMT2A (1.00) KMT2AMEN1POLBALDH1A1CYP19A1
SCHEMBL3025870 0.81 KMT2A (0.83) KMT2AMEN1POLBALDH1A1CYP19A1
SCHEMBL5034890 0.79 PRMT1 (0.77) KMT2AMEN1ALDH1A1TDP1CYP19A1
SCHEMBL30219740 0.79 MEN1 (0.64) KMT2AMEN1POLBALDH1A1CYP19A1
SCHEMBL22489899 0.79 CYP19A1 (0.73) KMT2AMEN1POLBALDH1A1CYP19A1
SCHEMBL28156590 0.79 POLB (0.74) KMT2AMEN1POLBALDH1A1CYP19A1
SCHEMBL27625297 0.79 KMT2A (0.83) KMT2AMEN1POLBALDH1A1CYP19A1
SCHEMBL4618106 0.78 TDP1 (0.76) KMT2AMEN1ALDH1A1TDP1HTT
SCHEMBL11177620 0.78 TDP1 (1.00) KMT2AMEN1ALDH1A1TDP1HTT

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-7378417-B2 Pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US 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-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 KMT2A 3706/4885MEN1 2675/4885POLB 2158/4885

“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.