SCHEMBL3075154

SCHEMBL3075154

CCCCN1CCCN(C(=O)c2cccc(NS(=O)(=O)c3cccc(Br)c3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.59
POLB P06746 1/20 0.56
ALDH1A1 P00352 6/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL6827973 0.95 PKM (0.61) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6923994 0.90 PKM (0.53) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6922338 0.89 POLB (0.56) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL3069679 0.87 ALDH1A1 (0.54) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6827768 0.85 ALDH1A1 (0.57) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6929713 0.85 ALDH1A1 (0.60) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6920069 0.84 ALDH1A1 (0.49) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6925435 0.84 ALDH1A1 (0.55) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6923759 0.84 POLB (0.57) PKMRAB9APOLBALDH1A1LMNA
SCHEMBL6925728 0.83 ALDH1A1 (0.56) PKMRAB9APOLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. 2010-10-28 US disclosed
US-7790728-B2 Pyrazine derivatives useful as adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-07 US disclosed
US-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-02-12 US disclosed
EP-1922313-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-05-21 EP disclosed
WO-2007017096-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed
WO-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO 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-20090042891-A1 Pyrazine Derivatives Useful as Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA3 PKM 3023/4885RAB9A 1848/4885POLB 1496/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 PKM 2646/4885RAB9A 2395/4885POLB 1570/4885

“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.