Sugi Predict

Sugi Predict / Compounds / SCHEMBL4252804

SCHEMBL4252804

SCHEMBL4252804

CC#CCn1c(NC[C@H](C)NC(=O)OC(C)(C)C)nc2cnn(Cc3ncc4ccccc4c3C#N)c(=O)c21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.50
▸ KCNH2 Q12809 3/20 0.40
▸ CHRM1 P11229 4/20 0.37
▸ CCNE2 O96020 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34

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
SCHEMBL4252811 1.00 DPP4 (0.50) DPP4KCNH2CHRM1CCNE2CCNA2
SCHEMBL4252797 0.87 DPP4 (0.39) DPP4KCNH2CHRM1
SCHEMBL4252796 0.87 DPP4 (0.39) DPP4KCNH2CHRM1
SCHEMBL4247777 0.86 DPP4 (0.49) DPP4CHRM1CCNE2CCNA2CCNE1
SCHEMBL4247782 0.86 DPP4 (0.49) DPP4CHRM1CCNE2CCNA2CCNE1
SCHEMBL4249664 0.78 DPP4 (0.49) DPP4KCNH2CHRM1
SCHEMBL4252775 0.74 DPP4 (0.47) DPP4KCNH2CHRM1
SCHEMBL4252770 0.74 DPP4 (0.47) DPP4KCNH2CHRM1
SCHEMBL4464589 0.74 DPP4 (0.49) DPP4KCNH2CHRM1
SCHEMBL4252162 0.74 DPP4 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088569-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS ECKHARDT MATTHIAS 2009-04-02 — — US disclosed
US-7476671-B2 2-amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 — — US disclosed
US-20070088038-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS ECKHARDT MATTHIAS 2007-04-19 — — US disclosed
US-7179809-B2 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-20 — — US disclosed
US-20050234235-A1 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 — — 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 (3 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-20050234235-A1 2-Amino-imidazo[4,5-d]pyridazin-4-ones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP8 DPP4 1/4885KCNH2 1414/4885CHRM1 497/4885
US-20090088569-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885KCNH2 1615/4885CHRM1 638/4885
US-20070088038-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP8 DPP4 1/4885KCNH2 1414/4885CHRM1 497/4885

“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.