SCHEMBL2517518

SCHEMBL2517518

[c]1cc2ncccc2c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.37
HSP90AA1 P07900 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
NCF1 P14598 1/20 0.35
NCOA1 Q15788 2/20 0.35
GPR3 P46089 2/20 0.34
NR4A2 P43354 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL23973 0.82 LMNA (0.48) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL23991 0.82 MAPT (0.45) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL17511885 0.82 KDM4E (0.45) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL17511890 0.78 GPR3 (0.38) MAPTKDM4EGPR3
SCHEMBL2513089 0.78 LMNA (0.36) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL17511892 0.78 MAPT (0.54) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL9480468 0.74 MAPT (0.61) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL2513044 0.73 ALDH1A1 (0.47) MAPTKDM4ECYP3A4ALDH1A1LMNA
SCHEMBL578709 0.73 CYP2A6 (0.32) ALDH1A1
SCHEMBL217044 0.70 MAPT (1.00) MAPTKDM4ECYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US disclosed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US disclosed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US disclosed
EP-1641799-B8 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-08 EP disclosed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP disclosed
EP-1641799-A1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-04-05 EP disclosed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
WO-2004111051-A1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-23 WO disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP 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-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 MAPT 526/4885KDM4E 229/4885CYP3A4 14/4885
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 MAPT 4371/4885KDM4E 995/4885CYP3A4 1069/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MAPT 717/4885KDM4E 178/4885CYP3A4 12/4885

“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.