SCHEMBL3875951

SCHEMBL3875951

CN1CCCC1CCOc1ccc2ncc(-c3cccnc3F)n2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.42
MKNK1 Q9BUB5 2/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNB1 P11230 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB3 Q05901 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRM3 P20309 3/20 0.39

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
SCHEMBL3869356 0.85 CHRNB1 (0.46) PIM1MKNK1CHRNB4CHRNA3CHRNB1
SCHEMBL3865956 0.85 CHRM3 (0.48) PIM1MKNK1CHRM3
SCHEMBL3865614 0.84 PIM1 (0.46) PIM1MKNK1CHRM3
SCHEMBL3865892 0.83 PIM1 (0.49) PIM1MKNK1CHRNB4CHRNA3CHRM3
SCHEMBL3867562 0.83 MKNK1 (0.42) PIM1MKNK1CHRM3
SCHEMBL3865850 0.82 FYN (0.49) PIM1MKNK1CHRNB4CHRNA3CHRNB1
SCHEMBL3872616 0.82 PIM1 (0.51) PIM1MKNK1CHRNB4CHRNA3CHRNB1
SCHEMBL3865735 0.81 PIM1 (0.41) PIM1MKNK1CHRNB4CHRNA3CHRNB2
SCHEMBL3876139 0.81 PIM1 (0.55) PIM1CHRM3
SCHEMBL3869241 0.81 PIM1 (0.41) PIM1MKNK1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US claimed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US claimed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US claimed
EP-2044071-A1 OOXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-08 EP claimed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-15 US disclosed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-8653076-B2 Oxo-substituted imidazo[1,2B]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US disclosed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US disclosed
US-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals CDK2, CDK1, MAP4K2 PIM1 712/4885MKNK1 299/4885CHRNB4 2792/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 PIM1 712/4885MKNK1 299/4885CHRNB4 2792/4885

“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.