SCHEMBL1928385

SCHEMBL1928385

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
ATM Q13315 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL1928342 0.82 DPP4 (0.47) DPP4CYP3A4
SCHEMBL1926961 0.81 HPGD (0.43) HPGDUSP2POLBALOX12HSD17B10
SCHEMBL1928428 0.76 HPGD (0.43) HPGDUSP2POLBALOX12HSD17B10
Trifluoroacetic Acid SCHEMBL1928206 0.75 DPP4 (0.41) DPP4CYP3A4DPP8DPP9
SCHEMBL1928470 0.74 USP2 (0.37) HPGDUSP2POLBALOX12HSD17B10
SCHEMBL1928452 0.68 PTGS2 (0.43) HPGDUSP2POLBALOX12HSD17B10
SCHEMBL28278516 0.67 HPGD (0.41) HPGDUSP2POLBALOX12HSD17B10
SCHEMBL1928756 0.66 KDM4E (0.52) HPGDPOLBHSD17B10KDM4EMEN1
SCHEMBL12531800 0.65 DPP4 (0.65) DPP4CYP3A4DPP8
SCHEMBL3622879 0.64 CNR1 (0.70) CNR1CNR2

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 HPGD 1127/4885USP2 1711/4885POLB 525/4885

“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.