SCHEMBL1929429

SCHEMBL1929429

NCc1c(-c2c(Cl)cc(Cl)cc2Cl)nc2nc(N)nn2c1N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 3/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 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
SCHEMBL1928957 0.84 DPP4 (0.51) DPP4CYP3A4
SCHEMBL3840561 0.80 MBOAT4 (0.42) KDM4EALDH1A1
SCHEMBL1930059 0.80 KDM4E (0.38) DPP4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8259701 0.74 PDE10A (0.39) DPP4CYP3A4DPP8DPP9
SCHEMBL12531800 0.73 DPP4 (0.65) DPP4CYP3A4DPP8
SCHEMBL8260983 0.72 DPP4 (0.39) DPP4RAB9ACYP3A4DPP8DPP9
SCHEMBL1927171 0.70 DPP4 (0.49) DPP4CYP3A4
SCHEMBL1928342 0.68 DPP4 (0.47) DPP4CYP3A4
SCHEMBL8259969 0.68 RECQL (0.32) DPP4ALDH1A1
SCHEMBL12544742 0.67 DPP4 (0.37) DPP4CYP3A4DPP8DPP9

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 9 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
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
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
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 DPP4 1/4885KDM4E 1162/4885ALDH1A1 790/4885

“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.