SCHEMBL612417

SCHEMBL612417

CCOc1ccc2nc(-c3ccc(C)cc3)c(CC(=O)N(CC)CC)n2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 7/20 0.58
GABRA1 P14867 2/20 0.49
GABRB2 P47870 2/20 0.49
HTR2B P41595 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ALB P02768 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 1/20 0.49
HPGD P15428 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRK1 P41145 1/20 0.49
GABRA2 P47869 1/20 0.49
KCNH2 Q12809 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1B P28222 1/20 0.44

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
SCHEMBL612673 0.92 TSPO (0.53) TSPOGABRA1GABRB2HTR2BKDM4E
SCHEMBL610340 0.92 TSPO (0.58) TSPOGABRB2ALBOPRK1GABRA2
SCHEMBL609138 0.92 TSPO (0.58) TSPOHTR2BALBOPRK1KCNH2
SCHEMBL608331 0.92 TSPO (0.58) TSPOGABRA1GABRB2ALBOPRK1
SCHEMBL612293 0.91 GABRA2 (0.48) TSPOGABRB2GABRA2
SCHEMBL611524 0.91 TSPO (0.58) TSPOGABRA1GABRB2HTR2BKDM4E
SCHEMBL611997 0.91 TSPO (0.48) TSPOGABRA1GABRB2HTR2BKDM4E
SCHEMBL611447 0.86 TSPO (0.69) TSPOGABRA1GABRB2HTR2BKDM4E
SCHEMBL13217860 0.84 TSPO (0.60) TSPOGABRA1GABRB2HTR2BKDM4E
SCHEMBL611488 0.84 TSPO (0.60) TSPOGABRA1GABRB2HTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040979-A1 IMIDAZO[1,2-B]PYRIDAZINES, PROCESSES, USES, INTERMEDIATES AND COMPOSITIONS FALCO JOSE LUIS (ES) 2012-02-16 US claimed
EP-2010536-B1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INT (ES) 2010-06-16 EP claimed
US-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions FERRER INTERNACIONAL, S.A. (ES) 2009-07-09 US claimed
EP-2010536-A1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS Ferrer Internacional, S.A. (ES) 2009-01-07 EP claimed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP claimed
WO-2007110437-A1 IMIDAZO [1, 2-B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 WO claimed
US-8993562-B2 Imidazo[1,2-b]pyridazines, processes, uses, intermediates and compositions FERRER INTERNACIONAL, S.A. (ES) 2015-03-31 US disclosed
US-8153789-B2 Imidazo[1,2-b]pyridazines, processes, uses, intermediates and compositions FERRER INTERNACIONAL, S.A. (ES) 2012-04-10 US disclosed
US-20120040979-A1 IMIDAZO[1,2-B]PYRIDAZINES, PROCESSES, USES, INTERMEDIATES AND COMPOSITIONS FALCO JOSE LUIS (ES) 2012-02-16 US disclosed
EP-2010536-B1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INT (ES) 2010-06-16 EP disclosed
US-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions FERRER INTERNACIONAL, S.A. (ES) 2009-07-09 US disclosed
EP-2010536-A1 IMIDAZO [1, 2-B]PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS Ferrer Internacional, S.A. (ES) 2009-01-07 EP disclosed
EP-1845098-A1 Imidazo[1,2-b]pyridazines, their processes of preparation and their use as GABA receptor ligands FERRER INTERNACIONAL, S.A. (ES) 2007-10-17 EP disclosed
WO-2007110437-A1 IMIDAZO [1, 2-B] PYRIDAZINES, THEIR PROCESSES OF PREPARATION AND THEIR USE AS GABA RECEPTOR LIGANDS FERRER INTERNACIONAL, S.A. (ES) 2007-10-04 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 (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-20090176788-A1 Imidazo[1,2-B]Pyridazines, Processes, Uses, Intermediates and Compositions GABRA5, GABRA1, GABRA2 TSPO 140/4885GABRA1 2/4885GABRB2 8/4885
US-20120040979-A1 IMIDAZO[1,2-B]PYRIDAZINES, PROCESSES, USES, INTERMEDIATES AND COMPOSITIONS GABRA5, GABRA1, GABRA2 TSPO 140/4885GABRA1 2/4885GABRB2 8/4885

“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.