SCHEMBL1945866

SCHEMBL1945866

CCCn1c(N)c(N=O)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ GLA P06280 2/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ KDM4E B2RXH2 7/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ ATM Q13315 2/20 0.50
▸ GAA P10253 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 1/20 0.46
▸ PDE4A P27815 3/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ PDE4B Q07343 3/20 0.44
▸ PDE4C Q08493 3/20 0.44
▸ PDE4D Q08499 3/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ BLM P54132 1/20 0.44

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
SCHEMBL1947204 0.90 MAPT (0.63) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1712992 0.89 MAPT (0.57) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1943267 0.83 MAPT (0.43) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1945858 0.83 MEN1 (0.51) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1944939 0.81 MAPT (0.44) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL8578013 0.80 MAPT (0.44) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1944737 0.80 MAPT (0.43) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1565331 0.79 MAPT (0.69) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1946869 0.79 KDM4E (0.56) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL10729121 0.78 KDM4E (0.43) MAPTGLASMN1; SMN2KDM4EMEN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2013-05-16 — — US disclosed
US-8324224-B2 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-10-20 — — US disclosed
EP-1444233-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD PALO ALTO INC (US) 2011-08-17 — — EP disclosed
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-02 — — US disclosed
US-7795269-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-09-14 — — US disclosed
US-20100222300-A1 A2B Adenosine Receptor Antagonists GILEAD PALO ALTO, INC. (US) 2010-09-02 — — US disclosed
US-7741331-B2 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. (US) 2010-06-22 — — US disclosed
WO-2009157938-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER CV THERAPEUTICS, INC. (US) 2009-12-30 — — WO disclosed
WO-2009088518-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER CV THERAPEUTICS, INC. (US) 2009-07-16 — — WO disclosed
US-6977300-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2005-12-20 — — US disclosed
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 — — 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-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 — — US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 — — US disclosed
EP-0686155-B1 XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS MERRELL PHARMA INC (US) 1998-07-29 — — EP disclosed
EP-0449175-B1 Selective adenosine receptor agents MERRELL PHARMA INC (US) 1997-07-30 — — EP disclosed
EP-0449175-A2 Selective adenosine receptor agents MERRELL PHARMACEUTICALS INC. (US) 1991-10-02 — — EP 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 (9 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-20110257127-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885GLA 3413/4885SMN1; SMN2 3610/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885GLA 3413/4885SMN1; SMN2 3610/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4244/4885GLA 2850/4885SMN1; SMN2 2102/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885GLA 3413/4885SMN1; SMN2 3610/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885GLA 3531/4885SMN1; SMN2 3610/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885GLA 3531/4885SMN1; SMN2 3610/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885GLA 3413/4885SMN1; SMN2 3610/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885GLA 3413/4885SMN1; SMN2 3610/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885GLA 3413/4885SMN1; SMN2 3610/4885

“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.

Send feedback