Sugi Predict

Sugi Predict / Compounds / SCHEMBL1712992

SCHEMBL1712992

SCHEMBL1712992

CCCCCn1c(N)c(N=O)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ ATM Q13315 2/20 0.57
▸ KDM4E B2RXH2 6/20 0.54
▸ GAA P10253 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 1/20 0.52
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ PKM P14618 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ PDE4A P27815 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ TSHR P16473 3/20 0.41

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 0.95 MAPT (0.63) MAPTATMKDM4EGAAALDH1A1
SCHEMBL1945866 0.89 MAPT (0.61) MAPTATMKDM4EGAAALDH1A1
SCHEMBL562680 0.85 MAPK10 (0.47) MAPTATMKDM4EGAAALDH1A1
SCHEMBL1944737 0.85 MAPT (0.43) MAPTATMKDM4EGAAALDH1A1
SCHEMBL1944939 0.83 MAPT (0.44) MAPTATMKDM4EGAAALDH1A1
SCHEMBL8578013 0.82 MAPT (0.44) MAPTATMKDM4EGAAALDH1A1
SCHEMBL1546582 0.82 MAPT (0.59) MAPTATMKDM4EGAAALDH1A1
SCHEMBL1713217 0.81 MAPT (0.64) MAPTATMKDM4EGAAALDH1A1
SCHEMBL1943267 0.79 MAPT (0.43) MAPTATMKDM4EGAAALDH1A1
SCHEMBL1945858 0.79 MEN1 (0.51) MAPTATMKDM4EGAAALDH1A1

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 59 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-2049544-B9 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2011-07-20 — — EP disclosed
EP-2049544-B9 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORP (US) 2011-07-20 — — EP disclosed
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS GILEAD SCIENCES, INC. (US) 2011-06-02 — — US disclosed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 — — US disclosed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 — — US disclosed
US-7902205-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-03-08 — — US disclosed
US-7863285-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-01-04 — — 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
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 — — WO 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-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
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 — — WO disclosed
US-4644001-A BRONCHODILATOR, CARDIOTONIC AGENTS AKTIEBOLAGET DRACO (SE) 1987-02-17 — — US disclosed
US-4548818-A Composition and methods for the treatment of chronic obstructive airway disease and cardiac disease using 3-alkylxanthines AKTEBOLAGET DRACO, A COMPANY OF SWEDEN (SE) 1985-10-22 — — 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 (7 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 4833/4885ATM 2314/4885KDM4E 4389/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885ATM 2314/4885KDM4E 4389/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4244/4885ATM 3382/4885KDM4E 4126/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885ATM 2334/4885KDM4E 4096/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885ATM 2334/4885KDM4E 4096/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885ATM 2314/4885KDM4E 4389/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885ATM 2314/4885KDM4E 4389/4885

“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.