Sugi Predict

Sugi Predict / Compounds / SCHEMBL1565331

SCHEMBL1565331

SCHEMBL1565331

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.69
▸ GLA P06280 2/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ KDM4E B2RXH2 8/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ ATM Q13315 2/20 0.56
▸ ALDH1A1 P00352 5/20 0.51
▸ GAA P10253 4/20 0.51
▸ LMNA P02545 1/20 0.50
▸ PDE4A P27815 4/20 0.49
▸ ADORA2A P29274 4/20 0.49
▸ PDE4B Q07343 4/20 0.49
▸ PDE4C Q08493 4/20 0.49
▸ PDE4D Q08499 4/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ BLM P54132 1/20 0.49

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
Hydrochloric Acid SCHEMBL4692433 0.98 MAPT (0.67) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1945482 0.89 MAPT (0.71) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1713217 0.87 MAPT (0.64) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1546553 0.84 MAPT (0.67) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL14267076 0.83 MAPT (0.57) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1947280 0.81 MAPT (0.48) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL10730940 0.80 KDM4E (0.51) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1946807 0.80 MEN1 (0.56) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL14205210 0.79 KDM4E (0.68) MAPTGLASMN1; SMN2KDM4EMEN1
SCHEMBL1945866 0.79 MAPT (0.61) 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 65 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
EP-2305684-A1 Poycyloalkylpurines as adenosine receptor antagonists Biogen Idec MA Inc. (US) 2011-04-06 — — EP 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
US-20090221821-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2009-09-03 — — US disclosed
US-5395836-A Adenosine A1 receptor antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-03-07 — — US disclosed
EP-0619316-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-10-12 — — EP disclosed
US-5290782-A Bronchodilator agents, diuretics for renal protective agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-01 — — US disclosed
EP-0559893-A1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-15 — — EP disclosed
US-5173492-A Bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-12-22 — — US disclosed
EP-0449175-A2 Selective adenosine receptor agents MERRELL PHARMACEUTICALS INC. (US) 1991-10-02 — — EP disclosed
EP-0417790-A2 S-triazolo[3,4-i]purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-03-20 — — EP disclosed
EP-0415456-A2 Xanthine compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-03-06 — — EP 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 (5 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-20090221821-A1 ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME ADORA1, ADORA2A, ADORA3 MAPT 4440/4885GLA 2905/4885SMN1; SMN2 1007/4885
US-20100222300-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.