SCHEMBL8180773

SCHEMBL8180773

O=C(NCCNc1ccccc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
POLB P06746 1/20 0.50
EPHX1 P07099 1/20 0.49
CA3 P07451 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 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
SCHEMBL5408045 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL10279953 0.80 GAA (0.45) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL3565228 0.80 EPHX1 (0.54) ALDH1A1SMN1; SMN2POLBEPHX1MAPT
SCHEMBL3833319 0.78 MLYCD (0.62) ALDH1A1ALOX12POLBEPHX1MAPT
SCHEMBL5623968 0.77 ALDH1A1 (0.84) ALDH1A1SMN1; SMN2GLAHPGDALOX12
SCHEMBL11843114 0.77 MTNR1A (0.61) ALDH1A1SMN1; SMN2GLAPOLBEPHX1
SCHEMBL14279809 0.77 EPHX1 (0.51) ALDH1A1SMN1; SMN2HPGDEPHX1MAPT
SCHEMBL5841015 0.77 EPHX1 (0.51) ALDH1A1POLBEPHX1MAPTMTNR1A
SCHEMBL5841008 0.77 EPHX1 (0.51) ALDH1A1SMN1; SMN2EPHX1MAPTMTNR1A
SCHEMBL13861685 0.77 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2GLAHPGDALOX12

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 13 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-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
EP-2822559-A1 IMIDAZO [1, 2 - B]PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF Lexicon Pharmaceuticals, Inc. (US) 2015-01-14 EP 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
WO-2013134219-A1 IMIDAZO [1, 2 - B] PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS, INC. (US) 2013-09-12 WO disclosed
US-6132957-A CONTACTING A 9-SUBSTITUTED ADENINE WITH A CELL EXTRACT CONTAINING ADENYLATE CYCLASE ACTIVITY, DETECTING THE AMOUNT OF INHIBITION, AND CORRELATING WITH TEST STANDARD OR CONTROL; NOVEL THERAPIES FOR CARDIOVASCULAR DISORDERS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2000-10-17 US disclosed
US-5795756-A Method and compounds for the inhibition of adenylyl cyclase THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 1998-08-18 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 (3 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 ALDH1A1 2964/4885SMN1; SMN2 1224/4885GLA 4649/4885
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 ALDH1A1 2964/4885SMN1; SMN2 1224/4885GLA 4649/4885
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 ALDH1A1 2964/4885SMN1; SMN2 1224/4885GLA 4649/4885

“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.