SCHEMBL2386967

SCHEMBL2386967

CCCCOc1nc(N)c2ncn(CCCCN3C(=O)c4ccccc4C3=O)c2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.45
ADORA2A P29274 4/20 0.43
TMIGD3 P0DMS9 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.42
PDE5A O76074 1/20 0.42

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
SCHEMBL12048710 0.82 TLR7 (0.50) TLR7
SCHEMBL2390264 0.82 TLR7 (0.50) TLR7ADORA2AADORA1ADORA2B
SCHEMBL5162367 0.80 ADORA2A (0.56) TLR7ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL5160348 0.80 ADORA2A (0.59) TLR7ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL731220 0.80 TLR7 (0.50) TLR7
SCHEMBL5161346 0.79 ADORA2A (0.55) TLR7ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL5162385 0.79 ADORA2A (0.58) TLR7ADORA2ATMIGD3ADORA1ADORA2B
SCHEMBL2389379 0.79 TLR7 (0.51) TLR7
SCHEMBL7204649 0.77 TLR7 (0.64) TLR7ADORA2A
SCHEMBL19553577 0.76 ADORA2A (0.51) ADORA2ATMIGD3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-8969362-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2015-03-03 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound ASTRAZENECA AKTIEBOLAG (SE) 2014-02-13 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
US-8575180-B2 9-substituted 8-oxoadenine compound ASTRAZENECA AKTIEBOLAG (SE) 2013-11-05 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND ASTRAZENECA AKTIEBOLAG (SE) 2011-12-15 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
EP-1728793-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 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 (3 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-20110306610-A1 9-SUBSTITUTED 8-OXOADENINE COMPOUND IFNAR1, IL5, IFNG TLR7 8/4885ADORA2A 83/4885TMIGD3 3530/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG TLR7 8/4885ADORA2A 83/4885TMIGD3 3530/4885
US-20140045837-A1 9-Substituted 8-Oxoadenine Compound IFNAR1, IL5, IFNG TLR7 13/4885ADORA2A 85/4885TMIGD3 3909/4885

“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.