SCHEMBL3071207

SCHEMBL3071207

Cc1ccc(C(=O)N2CCCN(CC3CC3)CC2)cc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
GHSR Q92847 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
PKLR P30613 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
KDM2B Q8NHM5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLG P00747 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP1 P09874 1/20 0.42
NPC1 O15118 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
SCHEMBL3064535 0.86 L3MBTL1 (0.51) L3MBTL1GHSRKMT2ARXFP1CA12
SCHEMBL3061795 0.86 ALDH1A1 (0.56) L3MBTL1KMT2ATDP1SMN1; SMN2
SCHEMBL3053691 0.85 LMNA (0.54) L3MBTL1KMT2APKMPKLRRXFP1
SCHEMBL6705341 0.85 ALDH1A1 (0.50) L3MBTL1KMT2APKMPKLRSMN1; SMN2
SCHEMBL6690559 0.78 HTR6 (0.45) L3MBTL1KMT2APKMPKLRTDP1
SCHEMBL3071070 0.77 HTR7 (0.45) L3MBTL1KMT2ARXFP1CA12CA1
SCHEMBL6932063 0.77 LMNA (0.44) KMT2ASMN1; SMN2
SCHEMBL3077251 0.75 ALDH1A1 (0.57) L3MBTL1PKMRXFP1TDP1SMN1; SMN2
SCHEMBL17331345 0.75 L3MBTL1 (0.57) L3MBTL1KMT2APKMSMN1; SMN2
SCHEMBL3069441 0.74 TSHR (0.60) L3MBTL1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074438-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

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 3955/4885GHSR 678/4885KMT2A 2676/4885
US-20100273757-A1 PYRAZINE DERIVATIVES USEFUL AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 L3MBTL1 4534/4885GHSR 726/4885KMT2A 1337/4885

“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.