SCHEMBL4805730

SCHEMBL4805730

CC#CCn1c(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc2c(=O)n(CC#N)n(Cc3ccc4ccccc4n3)c(=O)c21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.60
▸ PDE10A Q9Y233 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL4805745 1.00 DPP4 (0.60) DPP4PDE10ACYP3A4
SCHEMBL4816922 0.94 DPP4 (0.57) DPP4PDE10ACYP3A4
SCHEMBL4816929 0.94 DPP4 (0.57) DPP4PDE10ACYP3A4
SCHEMBL4812165 0.94 DPP4 (0.59) DPP4PDE10ACYP3A4
SCHEMBL4812173 0.94 DPP4 (0.59) DPP4PDE10ACYP3A4
SCHEMBL4814277 0.93 DPP4 (0.57) DPP4PDE10ACYP3A4
SCHEMBL4814254 0.93 DPP4 (0.57) DPP4PDE10ACYP3A4
SCHEMBL4813207 0.92 DPP4 (0.61) DPP4PDE10ACYP3A4
SCHEMBL4813215 0.92 DPP4 (0.61) DPP4PDE10ACYP3A4
SCHEMBL4815081 0.92 DPP4 (0.56) DPP4PDE10ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432262-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-07 — — US disclosed
US-7393847-B2 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2008-07-01 — — US disclosed
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions ECKHARDT MATTHIAS 2007-06-21 — — US disclosed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 — — 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 (2 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-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions DPP4, DPP3, DPP7 DPP4 1/4885PDE10A 2009/4885CYP3A4 13/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 DPP4 1/4885PDE10A 1950/4885CYP3A4 13/4885

“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.

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