SCHEMBL3441064

SCHEMBL3441064

Nc1nc(Cl)nc2c1ncn2CCCc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 2/20 0.53
▸ PDE8A O60658 10/20 0.52
▸ CDK1 P06493 1/20 0.49
▸ ADORA2A P29274 5/20 0.46
▸ TMIGD3 P0DMS9 3/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ ADORA2B P29275 1/20 0.42
▸ CFTR P13569 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL5161381 0.87 YTHDC1 (0.55) YTHDC1PDE8AADORA2ATMIGD3ADORA1
SCHEMBL3441053 0.81 ADORA2A (0.65) YTHDC1PDE8ACDK1ADORA2ATMIGD3
SCHEMBL19575728 0.80 YTHDC1 (0.42) YTHDC1PDE8ACDK1ADORA2ATMIGD3
SCHEMBL5162133 0.79 ADORA2A (0.52) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL14024978 0.79 ADORA2A (0.62) PDE8ACDK1ADORA2ATMIGD3ADORA1
SCHEMBL5160855 0.78 ADORA2A (0.50) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL5164048 0.78 ADORA2A (0.50) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL5160523 0.78 ADORA2A (0.49) ADORA2ATMIGD3ADORA1ADORA2BPDE4A
SCHEMBL5357328 0.78 ADORA2A (0.77) CDK1ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL5164692 0.78 ADORA2A (0.74) ADORA2ATMIGD3ADORA1ADORA2BCFTR

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 14 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
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
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 YTHDC1 4281/4885PDE8A 221/4885CDK1 3001/4885
US-20090099212-A1 A3 ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA2A, ADORA2B YTHDC1 1919/4885PDE8A 450/4885CDK1 2428/4885
US-20040209899-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 YTHDC1 2103/4885PDE8A 504/4885CDK1 2097/4885
US-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 YTHDC1 2858/4885PDE8A 229/4885CDK1 1472/4885

“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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