SCHEMBL3864535

SCHEMBL3864535

CN(C)CCCCOc1ccc2ncc(-c3ccc(OC(F)(F)F)cc3)n2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.58
DYRK1A Q13627 8/20 0.49
DYRK3 O43781 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
DYRK2 Q92630 2/20 0.49
DYRK1B Q9Y463 2/20 0.49
FYN P06241 3/20 0.46
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 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
SCHEMBL3864375 0.88 PIM1 (0.77) PIM1DYRK1AFYN
SCHEMBL3869250 0.87 DYRK1A (0.66) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL3870410 0.87 FYN (0.54) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL3864369 0.87 PIM1 (0.57) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL3875199 0.86 FYN (0.52) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL3865948 0.85 FYN (0.47) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL3878785 0.84 MKNK1 (0.52) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL3874940 0.83 PIM1 (0.49) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL14373176 0.82 FYN (0.48) PIM1DYRK1ADYRK3CCNA2CDK2
SCHEMBL3865825 0.82 FYN (0.45) PIM1DYRK1ADYRK3CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 712/4885DYRK1A 445/4885DYRK3 491/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 PIM1 712/4885DYRK1A 445/4885DYRK3 491/4885

“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.