SCHEMBL5658795

SCHEMBL5658795

N=C(NOC(=O)ONC(=N)Nc1ccc(S(N)(=O)=O)cc1)Nc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.62
CA2 P00918 15/20 0.62
CA12 O43570 12/20 0.62
CA9 Q16790 12/20 0.62
KMT2A Q03164 4/20 0.61
CA7 P43166 3/20 0.54
CA14 Q9ULX7 2/20 0.54
MEN1 O00255 2/20 0.53
CA4 P22748 1/20 0.53
PTPN7 P35236 1/20 0.53

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
SCHEMBL5659088 0.85 TGM2 (0.51) CA1CA2CA12CA9
SCHEMBL3969793 0.77 NPC1 (0.55) CA1CA2CA12CA9KMT2A
SCHEMBL3973745 0.77 ALDH1A1 (0.55) CA1CA2CA12CA9KMT2A
SCHEMBL3723958 0.77 NAPRT (0.52) KMT2A
SCHEMBL1517568 0.77 KMT2A (0.66) CA1CA2CA12CA9KMT2A
Acetylsulfanilamide SCHEMBL359721 0.77 CA1 (1.00) CA1CA2CA12CA9KMT2A
SCHEMBL28499329 0.76 KMT2A (1.00) CA1CA2CA12CA9KMT2A
Bicarbonate SCHEMBL5658794 0.76 KMT2A (0.65) CA1CA2CA12CA9KMT2A
Acetylsulfanilamide SCHEMBL8043497 0.75 CA1 (0.96) CA1CA2CA12CA9KMT2A
Acetylsulfanilamide SCHEMBL8190989 0.75 CA1 (0.96) CA1CA2CA12CA9KMT2A

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-7279473-B2 Pyrazolopyridazine derivatives SMITHKLINE BEECHAM CORPORATION (US) 2007-10-09 US disclosed
EP-1463730-B1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2006-04-19 EP disclosed
US-20050090507-A1 Pyrazolopyridazine derivatves SMITHKLINE BEECHAM CORPORATION 2005-04-28 US disclosed
EP-1463730-A1 PYRAZOLOPARIDAZINE DERIVATIVES SmithKline Beecham Corporation (US) 2004-10-06 EP disclosed
WO-2003051886-A1 PYRAZOLOPYRIDAZINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-26 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-20050090507-A1 Pyrazolopyridazine derivatves CDK4, CDK3, CDK8 CA1 4590/4885CA2 3895/4885CA12 4133/4885

“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.