SCHEMBL3452919

SCHEMBL3452919

O=C1CCCN1CCCNc1ccc2ncc(Br)n2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ RXFP1 Q9HBX9 10/20 0.51
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ MALT1 Q9UDY8 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GFER P55789 1/20 0.42

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
SCHEMBL3452622 0.82 MAPK1 (0.45) MKNK1HSD17B10MAPK1
SCHEMBL15254807 0.81 RXFP1 (0.50) KDM4EALDH1A1RXFP1KMT2AMEN1
SCHEMBL13110962 0.80 FYN (0.48) KDM4EALDH1A1RXFP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3454019 0.79 FYN (0.47) KDM4EALDH1A1RXFP1KMT2AMEN1
SCHEMBL15254309 0.79 RXFP1 (0.48) KDM4EALDH1A1RXFP1KMT2AMEN1
Hydrochloric Acid SCHEMBL3454015 0.79 FYN (0.47) KDM4EALDH1A1RXFP1KMT2AMEN1
SCHEMBL15255006 0.78 RXFP1 (0.47) KDM4EALDH1A1RXFP1KMT2AMEN1
SCHEMBL3452219 0.78 NMT1 (0.48) MKNK1HSD17B10MAPK1
SCHEMBL12699514 0.77 IKBKB (0.48) MKNK1
SCHEMBL3452045 0.77 PIM1 (0.49) KDM4EALDH1A1KMT2APOLBMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 — — EP disclosed
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 — — EP disclosed
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-03-02 — — US disclosed
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-03-02 — — US disclosed
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-03-02 — — US disclosed
US-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2016-01-28 — — US disclosed
US-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2016-01-28 — — US disclosed
US-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2016-01-28 — — US disclosed
US-8969565-B2 Imidazo[1,2-b]pyridazine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-8969565-B2 Imidazo[1,2-b]pyridazine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-8969565-B2 Imidazo[1,2-b]pyridazine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-19 — — US disclosed
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-19 — — US disclosed
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-19 — — US disclosed
US-7820670-B2 6-aminoimidazo[1,2-b]pyridazine analogs as rho kinase inhibitors for the treatment of rho kinase-mediated diseases and conditions ALCON RESEARCH, LTD. (US) 2010-10-26 — — US disclosed
WO-2008079880-A1 6-AMINOIMIDAZO[1,2-B]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION ALCON RESEARCH, LTD. (US) 2008-07-03 — — WO disclosed
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON MANUFACTURING, LTD. (US) 2008-06-26 — — 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 (4 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-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 KDM4E 2322/4885ALDH1A1 2964/4885RXFP1 3444/4885
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 KDM4E 2322/4885ALDH1A1 2964/4885RXFP1 3444/4885
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 KDM4E 2322/4885ALDH1A1 2964/4885RXFP1 3444/4885
US-20080153813-A1 6-AMINOIMIDAZO[1,2-b]PYRIDAZINE ANALOGS AS RHO KINASE INHIBITORS FOR THE TREATMENT OF RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOT2 KDM4E 2417/4885ALDH1A1 3762/4885RXFP1 591/4885

“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.

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