SCHEMBL1944878

SCHEMBL1944878

CCn1c(=O)[nH]c(N)c(N=O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ PDE4A P27815 3/20 0.41
▸ ADORA2A P29274 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 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
SCHEMBL1546666 0.86 MAPT (0.45) MAPTPDE4AADORA2APDE4BPDE4C
SCHEMBL1945724 0.83 ATM (0.48) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1946776 0.82 MAPT (0.43) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1546783 0.81 ALDH1A1 (0.42) MAPTPDE4AADORA2APDE4BPDE4C
SCHEMBL1945849 0.79 ALDH1A1 (0.40) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL2328928 0.77 MAPT (0.47) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1546118 0.77 ALDH1A1 (0.49) POLBPDE4AADORA2APDE4BPDE4C
SCHEMBL1945124 0.77 ALDH1A1 (0.46) MAPTPOLBPDE4AADORA2APDE4B
SCHEMBL1943263 0.77 ALDH1A1 (0.35) MAPTPDE4AADORA2APDE4BPDE4C
SCHEMBL1946059 0.76 ALDH1A1 (0.51) MAPTPOLBALDH1A1MEN1KMT2A

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 33 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
EP-2465859-A1 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists Life & Brain GmbH (DE) 2012-06-20 — — EP disclosed
EP-2465859-A1 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists Life & Brain GmbH (DE) 2012-06-20 — — EP disclosed
WO-2012076974-A1 8-TRIAZOLYLXANTHINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS LIFE & BRAIN GMBH (DE) 2012-06-14 — — WO 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-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
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
EP-0386683-A2 Xanthine derivatives having bronchodilating activity, a process for the preparation thereof and pharmaceutical compositions containing them POLI INDUSTRIA CHIMICA S.p.A. (IT) 1990-09-12 — — 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 4833/4885POLB 1152/4885PDE4A 49/4885
US-20050038045-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885POLB 1152/4885PDE4A 49/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4244/4885POLB 1350/4885PDE4A 75/4885
US-20100222300-A1 A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885POLB 1152/4885PDE4A 49/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885POLB 1115/4885PDE4A 29/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4828/4885POLB 1115/4885PDE4A 29/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885POLB 1152/4885PDE4A 49/4885
US-20130123280-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885POLB 1152/4885PDE4A 49/4885
US-20110130362-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS ADORA2B, ADORA2A, ADORA1 MAPT 4833/4885POLB 1152/4885PDE4A 49/4885

“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.

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