SCHEMBL5034890

SCHEMBL5034890

Nc1cccc(S(=O)(=O)NCCc2ccncc2)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.77
TDP1 Q9NUW8 2/20 0.69
HTT P42858 5/20 0.61
MAPK1 P28482 2/20 0.61
PKM P14618 1/20 0.61
ALDH1A1 P00352 5/20 0.58
CYP19A1 P11511 1/20 0.57
LMNA P02545 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 1/20 0.54
AKR1C3 P42330 1/20 0.51
USP2 O75604 1/20 0.50

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
SCHEMBL1937574 0.87 PRMT1 (1.00) PRMT1TDP1ALDH1A1CYP19A1AKR1C3
SCHEMBL2850435 0.87 PRMT1 (0.83) PRMT1TDP1MAPK1ALDH1A1CYP19A1
SCHEMBL5032594 0.86 CYP19A1 (0.73) PRMT1TDP1HTTALDH1A1CYP19A1
SCHEMBL4618106 0.82 TDP1 (0.76) PRMT1TDP1HTTMAPK1PKM
SCHEMBL11177620 0.82 TDP1 (1.00) PRMT1TDP1HTTMAPK1PKM
SCHEMBL31174173 0.82 PRMT1 (0.73) PRMT1TDP1PKMALDH1A1CYP19A1
SCHEMBL1565027 0.82 PRMT1 (0.73) PRMT1TDP1PKMALDH1A1CYP19A1
SCHEMBL5035260 0.82 AKR1C3 (0.63) PRMT1TDP1HTTMAPK1PKM
SCHEMBL2858653 0.80 PRMT1 (0.75) PRMT1ALDH1A1CYP19A1AKR1C3
SCHEMBL452006 0.79 PRMT1 (0.66) PRMT1TDP1PKMALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO claimed
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 PRMT1 798/4885TDP1 202/4885HTT 2091/4885

“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.