SCHEMBL12047731

SCHEMBL12047731

CC#CCn1c(N2CCC[C@@H](N)C2)c(C)c2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
KCNH2 Q12809 7/20 0.68
CHRM1 P11229 1/20 0.51

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
SCHEMBL12047717 0.93 DPP4 (0.69) DPP4KCNH2
SCHEMBL12047552 0.92 DPP4 (0.79) DPP4KCNH2
SCHEMBL8215883 0.92 DPP4 (0.70) DPP4KCNH2
SCHEMBL12047725 0.90 DPP4 (0.66) DPP4KCNH2CHRM1
SCHEMBL12047706 0.90 DPP4 (0.66) DPP4KCNH2CHRM1
SCHEMBL12047701 0.90 DPP4 (0.66) DPP4KCNH2CHRM1
SCHEMBL12047775 0.88 DPP4 (0.64) DPP4KCNH2CHRM1
SCHEMBL12047603 0.88 DPP4 (0.64) DPP4KCNH2CHRM1
SCHEMBL12047587 0.88 DPP4 (0.64) DPP4KCNH2CHRM1
SCHEMBL12047758 0.88 DPP4 (0.64) DPP4KCNH2CHRM1

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 2 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

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 3076/4885CHRM1 1835/4885

“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.