SCHEMBL3869231

SCHEMBL3869231

CN1CCCC1CCOc1ccc2ncc(-c3ccc(CC#N)cc3)n2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.45
PIM1 P11309 4/20 0.42
ATM Q13315 1/20 0.38
MKNK1 Q9BUB5 3/20 0.38
FLT3 P36888 2/20 0.38
DYRK3 O43781 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CHRM3 P20309 1/20 0.38
FYN P06241 3/20 0.36
NTRK1 P04629 3/20 0.36
NTRK3 Q16288 3/20 0.36
NTRK2 Q16620 3/20 0.36

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
SCHEMBL3864205 0.86 IKBKB (0.49) IKBKBPIM1ATMMKNK1DYRK3
SCHEMBL3870457 0.85 MKNK1 (0.49) IKBKBPIM1MKNK1DYRK3CCNA2
SCHEMBL3865850 0.85 FYN (0.49) IKBKBPIM1MKNK1DYRK3CCNA2
SCHEMBL3872616 0.85 PIM1 (0.51) IKBKBPIM1ATMMKNK1CHRM3
SCHEMBL3863895 0.84 IKBKB (0.47) IKBKBPIM1ATMMKNK1DYRK3
SCHEMBL3865561 0.83 PIM1 (0.52) PIM1MKNK1FLT3DYRK3CCNA2
SCHEMBL3871663 0.82 IKBKB (0.49) IKBKBPIM1
SCHEMBL3868845 0.82 PIM1 (0.58) IKBKBPIM1FLT3DYRK3CCNA2
SCHEMBL13866769 0.82 CHRNB2 (0.47) IKBKBPIM1ATMMKNK1CHRM3
SCHEMBL3869903 0.81 PIM1 (0.40) IKBKBPIM1ATMMKNK1FLT3

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 11 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-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 IKBKB 336/4885PIM1 712/4885ATM 900/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 IKBKB 336/4885PIM1 712/4885ATM 900/4885

“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.