SCHEMBL3870698

SCHEMBL3870698

CN1CCCC1CCOc1ccc2ncc(-c3cccc(Cl)c3)n2n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.55
DYRK3 O43781 3/20 0.51
CCNT1 O60563 3/20 0.51
CDK9 P50750 3/20 0.51
DYRK1A Q13627 3/20 0.51
DYRK2 Q92630 3/20 0.51
DYRK1B Q9Y463 3/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
MKNK1 Q9BUB5 1/20 0.49
CHRM3 P20309 2/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL13867547 0.98 PIM1 (0.54) PIM1DYRK3CCNT1CDK9DYRK1A
SCHEMBL3865540 0.90 PIM1 (0.54) PIM1DYRK3CCNT1CDK9DYRK1A
SCHEMBL3870124 0.90 PIM1 (0.54) PIM1DYRK3CCNT1CDK9DYRK1A
SCHEMBL3876139 0.89 PIM1 (0.55) PIM1DYRK3CCNT1CDK9DYRK1A
SCHEMBL3870457 0.88 MKNK1 (0.49) PIM1DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL3872616 0.88 PIM1 (0.51) PIM1MKNK1CHRM3
SCHEMBL3866155 0.88 FYN (0.53) PIM1
SCHEMBL3865561 0.87 PIM1 (0.52) PIM1DYRK3CCNT1CDK9DYRK1A
SCHEMBL3869796 0.87 PIM1 (0.52) PIM1DYRK3CCNT1CDK9DYRK1A
SCHEMBL3869075 0.87 CHRNB1 (0.52) PIM1MKNK1CHRM3

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 10 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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-09 US disclosed
WO-2007147646-A1 OXO-SUBSTITUTED IMIDAZO[1,2b]PYRIDAZINES, PRODUCTION AND USE THEREOF AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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-20090093475-A1 Oxo-substituted imidazo[1,2b]pyridazines, their preparation and use as pharmaceuticals CDK2, CDK1, MAP4K2 PIM1 712/4885DYRK3 491/4885CCNT1 184/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 PIM1 712/4885DYRK3 491/4885CCNT1 184/4885

“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.