SCHEMBL1387044

SCHEMBL1387044

[c]1nc2cccnc2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 8/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
IDO1 P14902 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TOP1 P11387 1/20 0.38
METAP1 P53582 2/20 0.37
CYP3A4 P08684 2/20 0.36
PARP1 P09874 3/20 0.35
CCR1 P32246 2/20 0.34
CCR8 P51685 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 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
SCHEMBL2520862 0.85 LMNA (0.43) HSP90AA1L3MBTL1NPC1LMNAKDM4E
SCHEMBL2519761 0.79 HSP90AA1 (0.41) HSP90AA1L3MBTL1NPC1LMNAKDM4E
SCHEMBL24030 0.76 GPR3 (0.46) LMNAKDM4EMAPTALDH1A1RAB9A
SCHEMBL27656095 0.74 GPR3 (0.44) LMNAKDM4EMAPTALDH1A1RAB9A
SCHEMBL2514483 0.73 LMNA (0.37) HSP90AA1L3MBTL1NPC1LMNAKDM4E
SCHEMBL11199602 0.70 GPR3 (0.56) HSP90AA1L3MBTL1NPC1LMNAKDM4E
SCHEMBL30895368 0.70 GPR3 (0.56) HSP90AA1L3MBTL1NPC1LMNAKDM4E
SCHEMBL5473648 0.70 HSP90AA1 (0.62) HSP90AA1L3MBTL1NPC1LMNAKDM4E
SCHEMBL2514493 0.69 GPR3 (0.34) LMNAKDM4EMAPTALDH1A1KMT2A
SCHEMBL2513089 0.68 LMNA (0.36) HSP90AA1L3MBTL1NPC1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4832758-B2 2011-12-07 JP claimed
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
EP-2228375-A1 New xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-09-15 EP claimed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP 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
US-7482337-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-27 US claimed
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 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
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 claimed
EP-1562946-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2005-08-17 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
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 claimed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 WO claimed
US-10472380-B2 Platinum compounds having a heterocycle ligand, nanoparticles, and uses thereof PLACON THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-20170349615-A1 PLATINUM COMPOUNDS HAVING A HETEROCYCLE LIGAND, NANOPARTICLES, AND USES THEREOF XLINK THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US disclosed
WO-2004041820-A1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-21 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 (6 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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 HSP90AA1 4254/4885L3MBTL1 2102/4885NPC1 1980/4885
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 HSP90AA1 4227/4885L3MBTL1 4315/4885NPC1 3905/4885
US-20170349615-A1 PLATINUM COMPOUNDS HAVING A HETEROCYCLE LIGAND, NANOPARTICLES, AND USES THEREOF TP53, PDCD1LG2, IDH1 HSP90AA1 1949/4885L3MBTL1 1113/4885NPC1 2827/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 HSP90AA1 4569/4885L3MBTL1 1924/4885NPC1 2618/4885
US-10472380-B2 Platinum compounds having a heterocycle ligand, nanoparticles, and uses thereof TP53, PDCD1LG2, IDH1 HSP90AA1 1949/4885L3MBTL1 1113/4885NPC1 2827/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HSP90AA1 4182/4885L3MBTL1 4391/4885NPC1 4069/4885

“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.