SCHEMBL3441053

SCHEMBL3441053

Nc1nc(Cl)nc2c1ncn2CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.65
▸ TMIGD3 P0DMS9 4/20 0.56
▸ ADORA1 P30542 4/20 0.56
▸ ADORA2B P29275 2/20 0.56
▸ PDE4A P27815 2/20 0.53
▸ PDE4B Q07343 2/20 0.53
▸ PDE4C Q08493 2/20 0.53
▸ PDE4D Q08499 2/20 0.53
▸ CDK1 P06493 1/20 0.52
▸ PDE8A O60658 6/20 0.52
▸ YTHDC1 Q96MU7 1/20 0.51
▸ PI4KA P42356 1/20 0.50
▸ PI4K2B Q8TCG2 1/20 0.50
▸ PI4K2A Q9BTU6 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ PNP P00491 1/20 0.48

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
SCHEMBL2060472 0.87 PDE4A (0.67) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL5161967 0.86 ADORA2A (0.53) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL5160796 0.84 PDE8A (0.59) ADORA2ATMIGD3ADORA1ADORA2BCDK1
SCHEMBL12537281 0.82 ADORA2A (0.57) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL3441064 0.81 YTHDC1 (0.53) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL5161857 0.81 ADORA2A (0.61) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL5162437 0.81 ADORA2A (0.61) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL5161127 0.80 ADORA2A (0.85) ADORA2ATMIGD3ADORA1ADORA2BCDK1
SCHEMBL5163121 0.80 ADORA2A (0.60) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL1230786 0.79 ADORA2A (1.00) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200615-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS Gilead Palo Alto, Inc. (US) 2010-06-30 — — EP disclosed
WO-2009052310-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2009-04-23 — — WO disclosed
US-20090099212-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS ZABLOCKI JEFF 2009-04-16 — — US disclosed
US-7238700-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-07-03 — — US disclosed
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 — — US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 — — EP disclosed
EP-1401837-B1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2005-10-19 — — EP disclosed
US-20040209899-A1 A2B adenosine receptor antagonists PALLE VENKATA (IN) 2004-10-21 — — US disclosed
EP-1456209-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-09-15 — — EP disclosed
US-6770651-B2 THERAPY FOR ASTHMA, DIARRHEA PALLE VENKATA (US) 2004-08-03 — — US disclosed
EP-1401837-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-03-31 — — EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 — — US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 — — WO disclosed
US-20030064999-A1 A2B adenosine receptor antagonists PALLE VENKATA (US) 2003-04-03 — — US disclosed
WO-2003006465-A1 PARTIAL AND FULL AGONIST OF A ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-01-23 — — WO disclosed
WO-2003002566-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-01-09 — — WO 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 (4 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-20030064999-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885TMIGD3 2403/4885ADORA1 3/4885
US-20090099212-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA2A, ADORA2B ADORA2A 2/4885TMIGD3 2761/4885ADORA1 4/4885
US-20040209899-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 ADORA2A 2/4885TMIGD3 4245/4885ADORA1 3/4885
US-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885TMIGD3 1730/4885ADORA1 4/4885

“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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