SCHEMBL4252373

SCHEMBL4252373

CC#CCn1c(N(C)CC(C)N)nc2cnn(Cc3ccc4ncccc4n3)c(=O)c21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.45
CHRM1 P11229 5/20 0.38
FAP Q12884 1/20 0.33
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4249672 0.89 DPP4 (0.44) DPP4CHRM1FAPCYP3A4
SCHEMBL4248894 0.85 DPP4 (0.43) DPP4CHRM1
SCHEMBL8286537 0.85 DPP4 (0.45) DPP4CHRM1
SCHEMBL4250440 0.83 DPP4 (0.43) DPP4CHRM1
SCHEMBL4468648 0.82 DPP4 (0.48) DPP4CHRM1FAP
SCHEMBL4476399 0.82 DPP4 (0.48) DPP4CHRM1FAP
SCHEMBL5358909 0.81 DPP4 (0.43) DPP4CHRM1FAPCYP3A4
SCHEMBL4250413 0.80 DPP4 (0.50) DPP4CHRM1FAP
SCHEMBL8286945 0.80 DPP4 (0.48) DPP4CHRM1
SCHEMBL4248078 0.79 DPP4 (0.71) DPP4CHRM1FAP

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 14 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-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-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-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-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-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-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-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-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
WO-2005097798-A1 NOVEL 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES AND 2-AMINO-IMIDAZO[4,5-C]PYRIDIN-4-ONES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (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 1/4885CHRM1 497/4885FAP 16/4885
US-20090088569-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 DPP4 1/4885CHRM1 638/4885FAP 13/4885
US-20070088038-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP8 DPP4 1/4885CHRM1 497/4885FAP 16/4885

“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.