SCHEMBL2332943

SCHEMBL2332943

CCCCn1c(N=CN(C)C)cc(=O)n(CCCC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.36
PDE4A P27815 3/20 0.35
ADORA2A P29274 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2B P29275 1/20 0.35
RGS4 P49798 1/20 0.34
CNR2 P34972 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ADRA2A P08913 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4639746 0.94 LMNA (0.49) LMNASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL2331175 0.91 LMNA (0.53) LMNASMN1; SMN2HPGDPDE4AADORA2A
SCHEMBL1945583 0.90 LMNA (0.53) LMNASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL1944745 0.90 LMNA (0.53) LMNASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL2756837 0.86 LMNA (0.51) LMNASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL240142 0.86 LMNA (0.51) LMNASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL2333544 0.82 LMNA (0.52) LMNASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL1546067 0.81 LMNA (0.55) LMNASMN1; SMN2HPGDALDH1A1PDE4A
SCHEMBL14016193 0.78 LMNA (0.76) LMNASMN1; SMN2HPGDADORA2AMEN1
SCHEMBL1945918 0.77 LMNA (0.56) LMNASMN1; SMN2HPGDALDH1A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 EP disclosed
US-7304070-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-7105665-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2006-09-12 US disclosed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US disclosed
US-20050038045-A1 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-02-17 US disclosed
US-6825349-B2 PURINE DERIVATIVES FOR TREATMENT OF GASTROINTESTINAL DISORDERS, IMMUNOLOGICAL DISORDERS, NEUROLOGICAL DISORDERS CV THERAPEUTICS INC. 2004-11-30 US disclosed
EP-1444233-A2 A 2B? ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-08-11 EP disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 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 (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-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 LMNA 3881/4885SMN1; SMN2 3610/4885HPGD 718/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 LMNA 3677/4885SMN1; SMN2 2102/4885HPGD 645/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 LMNA 4044/4885SMN1; SMN2 3610/4885HPGD 899/4885

“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.