SCHEMBL3873082

SCHEMBL3873082

COC(=O)c1cccc(-c2cnc3ccc(OCCC4CCCN4C)nn23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.54
PIM2 Q9P1W9 3/20 0.47
IKBKB O14920 1/20 0.46
FYN P06241 7/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
FLT3 P36888 2/20 0.44
KCNH2 Q12809 2/20 0.44
PIM3 Q86V86 2/20 0.44
GAK O14976 1/20 0.44
STK10 O94804 1/20 0.44
YES1 P07947 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
CSNK2A2 P19784 1/20 0.44
ACVR1 Q04771 1/20 0.44
PKN1 Q16512 1/20 0.44
HASPIN Q8TF76 1/20 0.44
SIK2 Q9H0K1 1/20 0.44
SLK Q9H2G2 1/20 0.44

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
SCHEMBL3866741 0.91 FYN (0.55) PIM1PIM2FYN
SCHEMBL3865987 0.91 PIM1 (0.51) PIM1PIM2IKBKBFYNDYRK3
SCHEMBL3865540 0.86 PIM1 (0.54) PIM1PIM2IKBKBFYNFLT3
SCHEMBL3870124 0.86 PIM1 (0.54) PIM1PIM2IKBKBFYNFLT3
SCHEMBL3876139 0.85 PIM1 (0.55) PIM1PIM2FYNFLT3KCNH2
SCHEMBL3870698 0.85 PIM1 (0.55) PIM1KCNH2DYRK3CCNT1CCNA2
SCHEMBL3872616 0.84 PIM1 (0.51) PIM1IKBKB
SCHEMBL3866284 0.84 PIM1 (0.73) PIM1PIM2FLT3KCNH2PIM3
SCHEMBL3866155 0.84 FYN (0.53) PIM1FYN
SCHEMBL3866160 0.83 PIM1 (0.50) PIM1PIM2FYNAKT1AKT2

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 712/4885PIM2 562/4885IKBKB 336/4885
US-20140135323-A1 OXO-SUBSTITUTED IMIDAZO[1,2B]PYRIDAZINES, THEIR PREPARATION AND USE AS PHARMACEUTICALS CDK2, CDK1, MAP4K2 PIM1 712/4885PIM2 562/4885IKBKB 336/4885

“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.