SCHEMBL4249746

SCHEMBL4249746

Cc1nc(Cn2ncc3nc(N(C)CC(C)N)n(Cc4ccco4)c3c2=O)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.53
CHRM1 P11229 3/20 0.45
ALDH1A1 P00352 7/20 0.41
TSHR P16473 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 5/20 0.38
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL8284540 0.86 DPP4 (0.54) DPP4CHRM1MAPTTP53
SCHEMBL4248078 0.84 DPP4 (0.71) DPP4CHRM1
SCHEMBL4248080 0.84 DPP4 (0.71) DPP4CHRM1
SCHEMBL4251375 0.83 DPP4 (0.54) DPP4CHRM1
SCHEMBL8286636 0.76 DPP4 (0.57) DPP4CHRM1LMNAHTTGAA
SCHEMBL4247275 0.74 DPP4 (0.53) DPP4CHRM1MEN1KMT2ACYP1A2
SCHEMBL4249212 0.74 DPP4 (0.53) DPP4CHRM1ALDH1A1TSHRSMN1; SMN2
SCHEMBL13973807 0.74 DPP4 (0.47) DPP4CHRM1SMN1; SMN2MAPTTP53
SCHEMBL4248888 0.73 DPP4 (0.70) DPP4CHRM1
SCHEMBL13891453 0.73 DPP4 (0.63) 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 16 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
EP-1740589-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) 2007-01-10 EP 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
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 497/4885ALDH1A1 1010/4885
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 638/4885ALDH1A1 1028/4885
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 497/4885ALDH1A1 1010/4885

“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.