SCHEMBL3869903

SCHEMBL3869903

CN1CCCC(COc2ccc3ncc(-c4ccc(CC#N)cc4)n3n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
KDM1A O60341 6/20 0.40
FLT3 P36888 1/20 0.40
DYRK3 O43781 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ATM Q13315 1/20 0.38
FYN P06241 1/20 0.38
EGFR P00533 2/20 0.38
LCK P06239 2/20 0.38
SRC P12931 2/20 0.38
NTRK1 P04629 4/20 0.38
NTRK3 Q16288 4/20 0.38
NTRK2 Q16620 4/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL3869149 0.87 PIM1 (0.40) PIM1FLT3DYRK3CCNA2CDK2
SCHEMBL3865853 0.86 DYRK3 (0.44) PIM1DYRK3CCNA2CDK2DYRK1A
SCHEMBL3873981 0.85 PIM1 (0.43) PIM1FLT3DYRK3CCNA2CDK2
SCHEMBL3869114 0.85 MKNK1 (0.47) PIM1DYRK3CCNA2CDK2DYRK1A
SCHEMBL3870831 0.85 FYN (0.47) PIM1DYRK3CCNA2CDK2DYRK1A
SCHEMBL3865957 0.85 PIM1 (0.48) PIM1FLT3DYRK3CCNA2CDK2
SCHEMBL3865835 0.85 SRC (0.47) PIM1DYRK3CCNA2CDK2DYRK1A
SCHEMBL3864372 0.84 DYRK3 (0.42) PIM1DYRK3CCNA2CDK2DYRK1A
SCHEMBL3866132 0.83 PIM1 (0.50) PIM1FLT3DYRK3CCNA2CDK2
SCHEMBL3869231 0.81 IKBKB (0.45) PIM1FLT3DYRK3CCNA2CDK2

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-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

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 712/4885KDM1A 965/4885FLT3 258/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 PIM1 712/4885KDM1A 965/4885FLT3 258/4885

“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.