SCHEMBL3415015

SCHEMBL3415015

CC(=O)NCCNCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.52
CHUK O15111 9/20 0.52
ROCK1 Q13464 2/20 0.45
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL3416037 0.94 IKBKB (0.47) IKBKBCHUKROCK1AURKAAURKB
SCHEMBL3415555 0.86 IKBKB (0.53) IKBKBCHUKROCK1AURKAAURKB
SCHEMBL3416039 0.84 IKBKB (0.45) IKBKBCHUKROCK1CCNKCDK12
SCHEMBL3416115 0.84 IKBKB (0.55) IKBKBCHUKROCK1AURKBCCNK
SCHEMBL3418176 0.83 IKBKB (0.64) IKBKBCHUKROCK1AURKBCCNK
Trifluoroacetic Acid SCHEMBL3416846 0.83 AURKB (0.48) IKBKBCHUKROCK1AURKAAURKB
SCHEMBL3416192 0.82 IKBKB (0.53) IKBKBCHUKROCK1CCNKCDK12
SCHEMBL3409717 0.82 IKBKB (0.62) IKBKBCHUKROCK1AURKBCYP2C9
SCHEMBL3415927 0.82 IKBKB (0.55) IKBKBCHUKROCK1AURKAAURKB
SCHEMBL3418248 0.81 IKBKB (0.59) IKBKBCHUKROCK1AURKBCCNK

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162863-B2 Modulators of stimulator of interferon genes (STING) Ryvu Therapeutics S.A. (PL) 2024-12-10 US disclosed
US-20240173307-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-05-30 US disclosed
EP-3704089-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-19 EP disclosed
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-12-22 US disclosed
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 US disclosed
EP-3807264-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-04-21 EP disclosed
WO-2019238786-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2019-12-19 WO disclosed
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-9878996-B2 2-imidazolyl-pyrimidine scaffolds as potent and selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2018-01-30 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 WO disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 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 (8 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-12162863-B2 Modulators of stimulator of interferon genes (STING) STING1, IRF3, CGAS IKBKB 123/4885CHUK 255/4885ROCK1 1641/4885
US-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ROCK1 467/4885
US-20240173307-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 IKBKB 60/4885CHUK 214/4885ROCK1 3215/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ROCK1 467/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 IKBKB 60/4885CHUK 214/4885ROCK1 3215/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 IKBKB 755/4885CHUK 458/4885ROCK1 812/4885
US-10226452-B2 Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments ASAH1, ASAH2, ACER2 IKBKB 789/4885CHUK 263/4885ROCK1 1641/4885
US-20220402898-A1 MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) STING1, IRF3, CGAS IKBKB 123/4885CHUK 255/4885ROCK1 1641/4885

“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.