SCHEMBL682159

SCHEMBL682159

CC#CCn1c(N(C)C[C@H](C)N)nc2c1c(=O)n(Cc1cc(C)c3ccccc3n1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.45
FAP Q12884 8/20 0.45
CHRM1 P11229 2/20 0.44
DPP9 Q86TI2 2/20 0.44
POU2F2 P09086 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
POU2F1 P14859 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH2 P25021 1/20 0.44
MC4R P32245 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
GHSR Q92847 1/20 0.44

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
SCHEMBL8272341 0.90 DPP4 (0.46) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL13936215 0.87 DPP4 (0.59) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL29801431 0.87 DPP4 (0.61) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL196303 0.87 DPP4 (0.61) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL8273239 0.87 DPP4 (0.43) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL196304 0.87 DPP4 (0.61) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL4474769 0.87 DPP4 (0.61) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL8271565 0.86 DPP4 (0.47) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL8273231 0.86 DPP4 (0.45) DPP4FAPCHRM1DPP9POU2F2
SCHEMBL13936235 0.85 DPP4 (0.42) DPP4FAPCHRM1DPP9POU2F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275561-A1 Treatment for diabetes in patients with insufficient glycemic control despite therapy with an oral or non-oral antidiabetic drug BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275561-A1 Treatment for diabetes in patients with insufficient glycemic control despite therapy with an oral or non-oral antidiabetic drug DPP4, DPP3, DPP7 DPP4 1/4885FAP 238/4885CHRM1 4775/4885

“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.