SCHEMBL13867124

SCHEMBL13867124

Oc1ccc(-c2cnc3ccc(OC4CCC(O)CC4)nn23)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.61
FYN P06241 8/20 0.51
MKNK1 Q9BUB5 4/20 0.47
MKNK2 Q9HBH9 1/20 0.47
DYRK3 O43781 2/20 0.44
DYRK1A Q13627 2/20 0.44
DYRK2 Q92630 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KCNH2 Q12809 2/20 0.40

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
SCHEMBL13867222 1.00 PIM1 (0.61) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL13867329 0.89 PIM1 (0.49) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL13867359 0.89 PIM1 (0.69) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL13867301 0.89 PIM1 (0.69) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL1056328 0.87 FYN (0.49) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL13867230 0.86 PIM1 (0.71) PIM1FYNMKNK1
SCHEMBL13867456 0.86 PIM1 (0.57) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL13867251 0.85 PIM1 (0.61) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL13867332 0.85 FYN (0.59) PIM1FYNMKNK1MKNK2DYRK3
SCHEMBL13867386 0.85 FYN (0.59) PIM1FYNMKNK1MKNK2DYRK3

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 7 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 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
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 712/4885FYN 363/4885MKNK1 299/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 PIM1 712/4885FYN 363/4885MKNK1 299/4885

“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.