SCHEMBL3869936

SCHEMBL3869936

CCN(CC)CCCOc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.67
DYRK2 Q92630 6/20 0.67
CCNA2 P20248 5/20 0.67
CDK2 P24941 5/20 0.67
DYRK1B Q9Y463 5/20 0.67
CDK5 Q00535 4/20 0.67
CDK5R1 Q15078 4/20 0.67
CCNT1 O60563 3/20 0.67
CDK9 P50750 3/20 0.67
DYRK3 O43781 3/20 0.67
PIM1 P11309 11/20 0.56
FYN P06241 3/20 0.53
KCNH2 Q12809 2/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47

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
SCHEMBL3865860 0.88 DYRK1A (0.65) DYRK1ADYRK2CCNA2CDK2DYRK1B
SCHEMBL3866087 0.87 DYRK1A (0.69) DYRK1ADYRK2CCNA2CDK2DYRK1B
SCHEMBL3868149 0.87 PIM1 (0.53) DYRK1ADYRK2CCNA2CDK2DYRK1B
SCHEMBL3864087 0.87 PIM1 (0.75) DYRK1APIM1FYN
SCHEMBL14373144 0.86 FYN (0.54) PIM1FYN
SCHEMBL3868868 0.86 PIM1 (0.52) DYRK1ADYRK2CCNA2CDK2DYRK1B
SCHEMBL3876350 0.86 PIM1 (0.52) DYRK1ADYRK2CCNA2CDK2DYRK1B
SCHEMBL3876095 0.85 DYRK3 (0.56) DYRK1ADYRK2CCNA2CDK2DYRK1B
SCHEMBL15473574 0.85 DYRK1A (0.71) DYRK1ADYRK2CCNA2CDK2DYRK1B
SCHEMBL14373146 0.84 DYRK1A (0.67) DYRK1ADYRK2CCNA2CDK2DYRK1B

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-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 DYRK1A 445/4885DYRK2 278/4885CCNA2 241/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 DYRK1A 445/4885DYRK2 278/4885CCNA2 241/4885

“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.