SCHEMBL1939405

SCHEMBL1939405

NC(=O)c1ncc(S(N)(=O)=O)s1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
SCD O00767 1/20 0.34
LOXL2 Q9Y4K0 3/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL27874802 0.84 LOXL2 (0.33) LOXL2ADORA3SLC6A3
SCHEMBL19475597 0.82 CA2 (0.44) CA2CA12CA1CA9
SCHEMBL24979121 0.78 LOXL2 (0.39) CA2CA12CA1CA9LOXL2
SCHEMBL21962509 0.77 CA2 (0.36) CA2CA12CA1CA9SCD
SCHEMBL9257282 0.77 CA2 (0.37) CA2CA12CA1CA9SCD
SCHEMBL7559698 0.74 LOXL2 (0.42) LOXL2
SCHEMBL6623330 0.74 FFAR2 (0.38) CA2CA12CA1CA9CDK2
SCHEMBL5875752 0.74 ADORA3 (0.67) LOXL2ADORA3SLC6A3
SCHEMBL5875686 0.73 ADORA3 (0.49) LOXL2ADORA3SLC6A3
SCHEMBL1241096 0.72 ADORA3 (0.56) CA2CA12CA1CA9LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851225-B1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP claimed
JP-2008530042-A 2008-08-07 JP claimed
US-7361659-B2 Pyrrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US claimed
EP-1851225-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-07 EP claimed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US claimed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO claimed
US-7361659-B2 Pyrrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
EP-1851225-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-07 EP disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 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-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 CA2 2897/4885CA12 4735/4885CA1 3719/4885

“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.