SCHEMBL3865876

SCHEMBL3865876

CCN(CC)CCCC(C)Oc1ccc2ncc(-c3cnc(F)c(C)c3)n2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PIM1 P11309 2/20 0.36
KCNH2 Q12809 2/20 0.35
DYRK3 O43781 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CAMK2D Q13557 2/20 0.35
FYN P06241 2/20 0.34

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
SCHEMBL3865794 0.87 PIM1 (0.43) MKNK1PIM1KCNH2DYRK3CCNA2
SCHEMBL3864543 0.86 FYN (0.46) MKNK1MKNK2PIM1DYRK3CCNA2
SCHEMBL3872295 0.86 FYN (0.45) MKNK1MKNK2PIM1KCNH2DYRK3
SCHEMBL3868289 0.85 DYRK3 (0.41) MKNK1MKNK2PIM1KCNH2DYRK3
SCHEMBL13866745 0.85 FYN (0.44) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL3866994 0.84 MKNK1 (0.39) MKNK1MKNK2PIM1DYRK3CCNA2
SCHEMBL3868046 0.83 CAMK2D (0.43) MKNK1MKNK2PIM1DYRK3CCNA2
SCHEMBL3875156 0.83 FYN (0.42) MKNK1MKNK2PIM1KCNH2FYN
SCHEMBL3872018 0.82 FYN (0.44) DYRK3CCNA2CDK2DYRK1ADYRK2
SCHEMBL3864426 0.82 MKNK1 (0.44) MKNK1MKNK2KCNH2DYRK3CCNA2

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 MKNK1 299/4885MKNK2 203/4885PIM1 712/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 MKNK1 299/4885MKNK2 203/4885PIM1 712/4885

“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.