SCHEMBL8206963

SCHEMBL8206963

CCn1c(N2CCC[C@@H](N)C2)cc2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.62
KCNH2 Q12809 4/20 0.62
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL12047565 0.92 DPP4 (0.59) DPP4KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL8214898 0.87 DPP4 (0.73) DPP4CYP1A2CYP3A4CYP2D6OPRM1
SCHEMBL8206959 0.86 DPP4 (0.54) DPP4KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL8215883 0.84 DPP4 (0.70) DPP4KCNH2
SCHEMBL2609251 0.84 DPP4 (0.68) DPP4KCNH2
SCHEMBL12290555 0.84 DPP4 (0.68) DPP4KCNH2
SCHEMBL8214983 0.84 DPP4 (0.82) DPP4KCNH2
SCHEMBL8217596 0.83 DPP4 (0.71) DPP4KCNH2
SCHEMBL8214899 0.82 DPP4 (0.51) DPP4KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL8213760 0.82 DPP4 (0.68) DPP4KCNH2

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-8071583-B2 Pyrrolo[3,2-D] pyrimidines as DPP-IV inhibitors for the treatment of diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-06 US disclosed
US-20090325926-A1 PYRROLO[3,2-D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
WO-2008017670-A1 PYRROLO [3, 2 -D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 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-20090325926-A1 PYRROLO[3,2-D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS DPP4, DPP3, DPP7 DPP4 1/4885KCNH2 3076/4885CYP1A2 1325/4885

“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.