SCHEMBL1928342

SCHEMBL1928342

CS(=O)(=O)c1nc2nc(-c3ccc(Cl)cc3Cl)c(CN)c(N)n2n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.47
CYP3A4 P08684 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL1928206 0.92 DPP4 (0.41) DPP4CYP3A4
SCHEMBL12531800 0.84 DPP4 (0.65) DPP4CYP3A4
SCHEMBL1928957 0.83 DPP4 (0.51) DPP4CYP3A4
SCHEMBL1928385 0.82 HPGD (0.41) DPP4CYP3A4
SCHEMBL1927171 0.81 DPP4 (0.49) DPP4CYP3A4
SCHEMBL1927895 0.75 DPP4 (0.50) DPP4CYP3A4
Trifluoroacetic Acid SCHEMBL1928691 0.75 DPP4 (0.42) DPP4CYP3A4
SCHEMBL1927164 0.71 DPP4 (0.42) DPP4CYP3A4
Trifluoroacetic Acid SCHEMBL3840942 0.69 DPP4 (0.44) DPP4CYP3A4
SCHEMBL1929429 0.68 DPP4 (0.38) DPP4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956061-B2 Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-06-07 US disclosed
EP-1841770-B1 BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2009-11-11 EP disclosed
US-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2009-04-23 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-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885CYP3A4 187/4885

“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.