SCHEMBL2519552

SCHEMBL2519552

[c]1ccc2ncc3ccccc3c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GPR3 P46089 1/20 0.50
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.32
TOP2A P11388 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
PRKCI P41743 1/20 0.31
PDE4B Q07343 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDPK1 O15530 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
SCHEMBL2519517 0.79 KDM4E (0.50) KDM4EGPR3LMNAADORA3CYP1A2
SCHEMBL525523 0.73 CYP2A6 (0.44) KDM4ELMNANPC1MAPTRAB9A
SCHEMBL17532738 0.73 KDM4E (0.52) KDM4EGPR3LMNANPC1MAPT
SCHEMBL2517163 0.73 CYP3A4 (0.44) KDM4EGPR3LMNANPC1MAPT
SCHEMBL3092457 0.72 KDM4E (0.61) KDM4EGPR3LMNANPC1MAPT
SCHEMBL2488607 0.71 KDM4E (0.58) KDM4EGPR3LMNANPC1MAPT
Hydrochloric Acid SCHEMBL28484677 0.70 KDM4E (0.59) KDM4EGPR3LMNANPC1MAPT
Phenanthridine SCHEMBL460289 0.70 GPR3 (0.95) KDM4EGPR3LMNANPC1MAPT
SCHEMBL24813 0.69 KDM4E (0.62) KDM4EGPR3LMNANPC1MAPT
SCHEMBL10740224 0.69 KDM4E (0.52) KDM4EGPR3LMNANPC1MAPT

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 25 patents — showing the first 20. 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-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-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-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
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-9771387-B2 Platinum compounds having a heterocycle ligand, nanoparticles, and uses thereof PLACON THERAPEUTICS (US) 2017-09-26 US disclosed
US-20160152646-A1 PLATINUM COMPOUNDS HAVING A HETEROCYCLE LIGAND, NANOPARTICLES, AND USES THEREOF XLINK THERAPEUTICS, INC. 2016-06-02 US disclosed
WO-2015009841-A2 PLATINUM COMPOUNDS HAVING A HETEROCYCLE LIGAND, NANOPARTICLES, AND USES THEREOF BLEND THERAPEUTICS (US) 2015-01-22 WO 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
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-09 US disclosed
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 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
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

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-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 KDM4E 1424/4885GPR3 1690/4885LMNA 3627/4885
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 KDM4E 229/4885GPR3 2815/4885LMNA 3427/4885
US-20170349615-A1 PLATINUM COMPOUNDS HAVING A HETEROCYCLE LIGAND, NANOPARTICLES, AND USES THEREOF TP53, PDCD1LG2, IDH1 KDM4E 4074/4885GPR3 2899/4885LMNA 3629/4885
US-20160152646-A1 PLATINUM COMPOUNDS HAVING A HETEROCYCLE LIGAND, NANOPARTICLES, AND USES THEREOF TP53, PDCD1LG2, IDH1 KDM4E 4074/4885GPR3 2899/4885LMNA 3629/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 KDM4E 1177/4885GPR3 1601/4885LMNA 3407/4885
US-20090093457-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 KDM4E 1177/4885GPR3 1601/4885LMNA 3407/4885
US-10472380-B2 Platinum compounds having a heterocycle ligand, nanoparticles, and uses thereof TP53, PDCD1LG2, IDH1 KDM4E 4074/4885GPR3 2899/4885LMNA 3629/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KDM4E 178/4885GPR3 2729/4885LMNA 3954/4885

“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.