SCHEMBL2947595

SCHEMBL2947595

O=C(O)c1ccc(-c2cnc3ccc(NC4CCC(O)CC4)nn23)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.65
PIM1 P11309 7/20 0.65
KCNH2 Q12809 5/20 0.62
FYN P06241 6/20 0.58
MKNK1 Q9BUB5 3/20 0.57
HCAR3 P49019 1/20 0.52

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
SCHEMBL1054075 0.88 PIM1 (0.74) IKBKBPIM1KCNH2FYN
SCHEMBL2949917 0.88 IKBKB (0.62) IKBKBPIM1KCNH2FYNMKNK1
SCHEMBL3041419 0.88 PIM1 (0.74) IKBKBPIM1KCNH2FYN
SCHEMBL1054748 0.88 FYN (0.74) IKBKBPIM1KCNH2FYNMKNK1
SCHEMBL3043586 0.87 PIM1 (0.72) IKBKBPIM1KCNH2FYNMKNK1
SCHEMBL3043588 0.87 PIM1 (0.72) IKBKBPIM1KCNH2FYNMKNK1
SCHEMBL3041613 0.87 PIM1 (0.76) IKBKBPIM1KCNH2FYNMKNK1
SCHEMBL3041629 0.87 PIM1 (0.76) IKBKBPIM1KCNH2FYNMKNK1
SCHEMBL12350675 0.87 PIM1 (0.62) IKBKBPIM1KCNH2FYNMKNK1
SCHEMBL3037594 0.86 PIM1 (0.67) IKBKBPIM1KCNH2FYNMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
EP-1900739-A1 Diazolodiazine derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-19 EP disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US disclosed
WO-2007025090-A2 HETEROBICYCLIC AND - TRICYCLIC INHIBITORS OF MAPK/ERK KINASE KALYPSYS, INC. (US) 2007-03-01 WO disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 US disclosed
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 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-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 IKBKB 207/4885PIM1 365/4885KCNH2 1604/4885
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase MAPK1, MAP3K1, MAP3K6 IKBKB 173/4885PIM1 157/4885KCNH2 4478/4885

“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.