SCHEMBL2073989

SCHEMBL2073989

[CH2]N1CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SCN4A P35499 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
P2RX4 Q99571 10/20 0.34
P2RX1 P51575 5/20 0.34
P2RX3 P56373 5/20 0.34
P2RX7 Q99572 3/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL1198914 0.76 P2RX4 (0.37) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL29434173 0.76 P2RX4 (0.37) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL8857358 0.74 MAPK1 (0.35) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL4540872 0.74 MAPK1 (0.35) MAPK1LMNATSHRSCN4ASCN5A
Iodide SCHEMBL30253496 0.74 P2RX4 (0.36) MAPK1LMNATSHRSCN4ASCN5A
Iodide SCHEMBL7101346 0.74 P2RX4 (0.36) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL4838385 0.74 LMNA (0.39) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL374978 0.74 MAPK1 (0.39) MAPK1LMNATSHRSCN4ASCN5A
SCHEMBL5213962 0.74 MAPK1 (0.35) MAPK1LMNATSHRSCN4ASCN5A
Hydrochloric Acid SCHEMBL29035745 0.74 MEN1 (0.37) MAPK1LMNATSHRSCN4ASCN5A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906539-B2 e.g. 1-(but-2-ynyl)-2-(3-amino-piperidin-1-yl)-5-(naphth-1-ylmethylaminocarbonyl)-1H-imidazole; dipeptidylpeptidase-IV inhibitor; antidiabetic, anticarcinogenic, antiinflammatory agent; autoimmune, neurodegenerative diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-15 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-7495003-B2 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 US disclosed
US-7495002-B2 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-24 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-7470716-B2 Imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-30 US disclosed
US-20080312243-A1 IMIDAZOLES AND TRIAZOLES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS ECKHARDT MATTHIAS 2008-12-18 US disclosed
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
EP-1765348-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-03-28 EP 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-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-13 US disclosed
WO-2006028545-A2 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 US disclosed
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 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-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 WO 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 (8 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 MAPK1 3744/4885LMNA 2913/4885TSHR 826/4885
US-20090088569-A1 2-AMINO-IMIDAZO[4,5-D]PYRIDAZIN-4-ONES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 MAPK1 3830/4885LMNA 3292/4885TSHR 874/4885
US-20070142383-A1 Imidazopyridazinediones, Their Preparation And Their Use As Pharmaceutical Compositions DPP4, DPP3, DPP7 MAPK1 3587/4885LMNA 4357/4885TSHR 607/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MAPK1 3582/4885LMNA 4335/4885TSHR 543/4885
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP7 MAPK1 3434/4885LMNA 3159/4885TSHR 1786/4885
US-20060004074-A1 New imidazoles and triazoles, their preparation, and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MAPK1 3031/4885LMNA 4654/4885TSHR 402/4885
US-20080312243-A1 IMIDAZOLES AND TRIAZOLES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 MAPK1 2983/4885LMNA 4618/4885TSHR 329/4885
US-20060079541-A1 3-methyl-7-butinyl-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 MAPK1 2478/4885LMNA 2692/4885TSHR 2345/4885

“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.