SCHEMBL8212919

SCHEMBL8212919

CCn1c(N2CCC[C@@H](N)C2)c(C(=O)N(C)C)c2c1c(=O)n(Cc1ccc3nccnc3c1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.45
KCNH2 Q12809 9/20 0.45
CHRM1 P11229 1/20 0.40
FAP Q12884 1/20 0.40

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
SCHEMBL12047598 0.92 DPP4 (0.54) DPP4KCNH2CHRM1
SCHEMBL8214909 0.88 DPP4 (0.44) DPP4KCNH2CHRM1FAP
SCHEMBL8217368 0.88 DPP4 (0.44) DPP4KCNH2CHRM1FAP
SCHEMBL8204964 0.87 DPP4 (0.44) DPP4KCNH2CHRM1
SCHEMBL8219926 0.87 DPP4 (0.43) DPP4KCNH2CHRM1FAP
SCHEMBL8215864 0.86 DPP4 (0.52) DPP4KCNH2FAP
SCHEMBL8211822 0.86 DPP4 (0.45) DPP4KCNH2CHRM1
SCHEMBL8214761 0.86 DPP4 (0.43) DPP4KCNH2CHRM1FAP
SCHEMBL8214998 0.84 DPP4 (0.46) DPP4KCNH2CHRM1FAP
SCHEMBL8214971 0.84 DPP4 (0.62) DPP4KCNH2FAP

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 3076/4885CHRM1 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.