SCHEMBL2514730

SCHEMBL2514730

[c]1ccc2c(cnc3ccccc32)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ERN1 O75460 1/20 0.37
MAPT P10636 1/20 0.37
TOP2A P11388 2/20 0.37
NCF1 P14598 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP3A4 P08684 1/20 0.34
PDPK1 O15530 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ADORA2A P29274 1/20 0.33
CA12 O43570 1/20 0.33
PARP1 P09874 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
SCHEMBL2522123 0.78 KDM4E (0.46) KDM4EMAPTCYP3A4ALOX15SMN1; SMN2
SCHEMBL2016968 0.76 MAPT (0.64) KDM4EERN1MAPTNCF1CYP3A4
SCHEMBL2519517 0.76 KDM4E (0.50) GPR3KDM4EERN1TOP2APDPK1
SCHEMBL19020845 0.73 GPR3 (0.68) GPR3KDM4EERN1MAPTTOP2A
SCHEMBL524536 0.72 CYP3A4 (0.52) GPR3KDM4EMAPTCYP3A4SMN1; SMN2
SCHEMBL2231455 0.70 KDM4E (0.68) GPR3KDM4EERN1MAPTNCF1
SCHEMBL1828913 0.69 PDGFRB (0.33) PARP1
SCHEMBL26265 0.69 KDM4E (0.62) GPR3KDM4EERN1MAPTTOP2A
SCHEMBL1247232 0.69 HPRT1 (0.52) GPR3KDM4EMAPTCYP3A4SMN1; SMN2
SCHEMBL2519552 0.68 KDM4E (0.50) GPR3KDM4EMAPTTOP2APDE4B

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 9 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GPR3 2815/4885KDM4E 229/4885ERN1 3659/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 GPR3 2729/4885KDM4E 178/4885ERN1 3647/4885

“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.