SCHEMBL16468435

SCHEMBL16468435

O=C(O)N1CCC[C@H]1COc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.49
DPP4 P27487 2/20 0.49
POLB P06746 1/20 0.47
ESRRG P62508 3/20 0.47
ESRRB O95718 2/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL5726089 0.96 LTA4H (0.52) LTA4HDPP4POLBALDH1A1CYP1A2
SCHEMBL4140738 0.87 ABHD6 (0.54) LTA4HDPP4CHRNB2CHRNA7CHRNA4
SCHEMBL15811746 0.87 ABHD6 (0.54) LTA4HDPP4CHRNB2CHRNA7CHRNA4
SCHEMBL2258523 0.86 ABHD6 (0.54) LTA4H
SCHEMBL28159876 0.86 FFAR1 (0.53) LTA4HDPP4CHRNB2CHRNA4ALDH1A1
SCHEMBL5413716 0.86 FFAR1 (0.55) LTA4HCHRNB2CHRNA7CHRNA4HRH3
SCHEMBL5050666 0.84 LTA4H (0.69) LTA4HHRH3
SCHEMBL3828498 0.83 LTA4H (0.46) LTA4HCHRNB2CHRNA7CHRNA4
SCHEMBL17008464 0.83 ABHD6 (0.58) LTA4H
SCHEMBL5315779 0.83 CHRNB2 (0.58) CHRNB2CHRNA7CHRNA4KCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751887-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-09-05 US disclosed
EP-2857404-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-18 US disclosed
US-9187489-B2 Imidazo[1,2-b]pyridazine derivatives as kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-17 US disclosed
EP-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP disclosed
US-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-19 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-20150051190-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 LTA4H 4254/4885DPP4 2806/4885POLB 3415/4885
US-20160046639-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS ROS1, JAK1, ERBB2 LTA4H 4254/4885DPP4 2806/4885POLB 3415/4885

“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.