SCHEMBL2331175

SCHEMBL2331175

CCCn1c(N=CN(C)C)cc(=O)n(CCC)c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 10/20 0.35
PDE4B Q07343 10/20 0.35
PDE4C Q08493 10/20 0.35
PDE4D Q08499 10/20 0.35
ADORA2A P29274 7/20 0.34
ADORA2B P29275 6/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2756837 0.94 LMNA (0.51) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL240142 0.94 LMNA (0.51) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2332943 0.91 LMNA (0.51) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL1546067 0.90 LMNA (0.55) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL14016193 0.86 LMNA (0.76) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4639746 0.86 LMNA (0.49) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2333544 0.84 LMNA (0.52) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL17364392 0.83 LMNA (0.46) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL1945583 0.81 LMNA (0.53) LMNASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL1944745 0.81 LMNA (0.53) LMNASMN1; SMN2HPGDMEN1KMT2A

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
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
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 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 (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.