SCHEMBL609138

SCHEMBL609138

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSPO P30536 8/20 0.58
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
ALB P02768 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL611966 0.92 TSPO (0.52) TSPONR1I2ABCB11ALBADORA3
SCHEMBL612417 0.92 TSPO (0.58) TSPOALBOPRK1KCNH2HTR1B
SCHEMBL612220 0.91 TSPO (0.48) TSPONR1I2ABCB11ALBADORA3
SCHEMBL610340 0.90 TSPO (0.58) TSPONR1I2ABCB11ALBADORA3
SCHEMBL608331 0.90 TSPO (0.58) TSPONR1I2ABCB11ALBADORA3
SCHEMBL612293 0.89 GABRA2 (0.48) TSPO
SCHEMBL610206 0.86 TSPO (0.70) TSPONR1I2ABCB11ALBADORA3
SCHEMBL612673 0.83 TSPO (0.53) TSPONR1I2ABCB11ALBADORA3
SCHEMBL611524 0.83 TSPO (0.58) TSPOALBOPRK1KCNH2HTR2B
SCHEMBL611997 0.82 TSPO (0.48) TSPONR1I2ABCB11ALBADORA3

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 140/4885NR1I2 24/4885ABCB11 2216/4885
US-20120040979-A1 IMIDAZO[1,2-B]PYRIDAZINES, PROCESSES, USES, INTERMEDIATES AND COMPOSITIONS GABRA5, GABRA1, GABRA2 TSPO 140/4885NR1I2 24/4885ABCB11 2216/4885

“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.