SCHEMBL8259701

SCHEMBL8259701

NCc1c(-c2c(Cl)cc(Cl)cc2Cl)nc2ccnn2c1N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
DPP4 P27487 16/20 0.35
DPP8 Q6V1X1 6/20 0.34
CYP3A4 P08684 5/20 0.34
DPP9 Q86TI2 5/20 0.34
KCNN3 Q9UGI6 3/20 0.34
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 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
SCHEMBL12544742 0.91 DPP4 (0.37) PDE10ADPP4DPP8CYP3A4DPP9
SCHEMBL3840561 0.76 MBOAT4 (0.42)
SCHEMBL1929429 0.74 DPP4 (0.38) DPP4DPP8CYP3A4DPP9
SCHEMBL8260983 0.74 DPP4 (0.39) DPP4DPP8CYP3A4DPP9
SCHEMBL12544740 0.68 DPP4 (0.34) DPP4DPP8CYP3A4DPP9
SCHEMBL1927895 0.64 DPP4 (0.50) DPP4CYP3A4
SCHEMBL1928957 0.62 DPP4 (0.51) DPP4CYP3A4
SCHEMBL15690194 0.62 PDE10A (0.44) PDE10AKCNN3KCNN1KCNN2
SCHEMBL15690215 0.62 PDE10A (0.44) PDE10AKCNN3KCNN1KCNN2
SCHEMBL5768681 0.62 NOS2 (0.40) PDE10AKCNN3KCNN1KCNN2

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 6 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
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
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
WO-2006078676-A2 BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-07-27 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-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 PDE10A 2184/4885DPP4 1/4885DPP8 4/4885

“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.