SCHEMBL3064535

SCHEMBL3064535

CCCCN1CCCN(C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc4ccccc4c3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
GHSR Q92847 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAD52 P43351 1/20 0.42
PLG P00747 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
SCHEMBL3071070 0.91 HTR7 (0.45) L3MBTL1KMT2ARXFP1CA12CA1
SCHEMBL3071207 0.86 L3MBTL1 (0.51) L3MBTL1KMT2ARXFP1CA12CA1
SCHEMBL3069426 0.86 ALDH1A1 (0.56) L3MBTL1KMT2AHPGDTDP1
SCHEMBL3058528 0.85 ALDH1A1 (0.50) L3MBTL1KMT2AHPGDTSHR
SCHEMBL6924761 0.83 ALDH1A1 (0.55) L3MBTL1KMT2ACA12CA1CA2
SCHEMBL6928187 0.80 ALDH1A1 (0.58) L3MBTL1KMT2AHPGDTDP1
SCHEMBL3077251 0.77 ALDH1A1 (0.57) L3MBTL1RXFP1TDP1
SCHEMBL17331345 0.77 L3MBTL1 (0.57) L3MBTL1KMT2AHPGD
SCHEMBL3063905 0.77 ALDH1A1 (0.56) KMT2A
SCHEMBL6928532 0.77 KMT2A (0.47) KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 L3MBTL1 3955/4885KMT2A 2676/4885RXFP1 909/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 L3MBTL1 4534/4885KMT2A 1337/4885RXFP1 575/4885

“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.