SCHEMBL5842458

SCHEMBL5842458

CC#CCn1c(N2CCCC(N)C2)nc2cnn(Cc3cc(C)ccn3)c(=O)c21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68
CHRM1 P11229 4/20 0.68

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
SCHEMBL8351807 0.90 DPP4 (0.71) DPP4CHRM1
SCHEMBL13911780 0.90 DPP4 (0.54) DPP4CHRM1
SCHEMBL8351949 0.89 DPP4 (0.74) DPP4CHRM1
SCHEMBL5841473 0.88 DPP4 (0.74) DPP4CHRM1
SCHEMBL5841467 0.88 DPP4 (0.74) DPP4CHRM1
SCHEMBL8351803 0.87 DPP4 (0.68) DPP4CHRM1
SCHEMBL8351490 0.86 DPP4 (0.74) DPP4CHRM1
SCHEMBL5840132 0.85 DPP4 (0.73) DPP4CHRM1
SCHEMBL5840139 0.85 DPP4 (0.73) DPP4CHRM1
SCHEMBL5353951 0.85 DPP4 (0.66) DPP4CHRM1

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-7109192-B2 Substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2006-09-19 US disclosed
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-01-27 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-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 552/4885

“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.