SCHEMBL1146459

SCHEMBL1146459

CCCCOc1nc(N)c2nc(OC)n(CCCO)c2n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.49
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44

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
SCHEMBL4223870 0.95 TLR7 (0.47) TLR7
SCHEMBL3359424 0.94 TLR7 (0.50) TLR7ADORA2AADORA2B
SCHEMBL20275365 0.93 TLR7 (0.53) TLR7
SCHEMBL4126699 0.91 TLR7 (0.49) TLR7
SCHEMBL566897 0.89 TLR7 (0.53) TLR7
SCHEMBL728835 0.89 TLR7 (0.50) TLR7
SCHEMBL14151403 0.88 TLR7 (0.55) TLR7
SCHEMBL1241960 0.88 TLR7 (0.49) TLR7
SCHEMBL566854 0.88 TLR7 (0.52) TLR7
SCHEMBL2387756 0.88 TLR7 (0.49) TLR7

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651943-B1 PURINE DERIVATIVES SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-03-22 EP disclosed
EP-2651943-B1 PURINE DERIVATIVES SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-03-22 EP disclosed
US-8895570-B2 Purine derivatives ASTRAZENECA AB (SE) 2014-11-25 US disclosed
US-8895570-B2 Purine derivatives ASTRAZENECA AB (SE) 2014-11-25 US disclosed
US-8895570-B2 Purine derivatives ASTRAZENECA AB (SE) 2014-11-25 US disclosed
US-8865896-B2 Method for preparing adenine compound ASTRAZENECA AKTIEBOLAG (SE) 2014-10-21 US disclosed
US-8865896-B2 Method for preparing adenine compound ASTRAZENECA AKTIEBOLAG (SE) 2014-10-21 US disclosed
US-20130338174-A1 PURINE DERIVATIVES Sumitomo Pharma Co., Ltd. (JP) 2013-12-19 US disclosed
EP-2651943-A1 PURINE DERIVATIVES Astrazeneca AB (SE) 2013-10-23 EP disclosed
WO-2012080730-A1 PURINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-21 WO disclosed
EP-2246353-A1 METHOD FOR PRODUCING ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-11-03 EP disclosed
EP-2246353-A1 METHOD FOR PRODUCING ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP disclosed
US-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ABBOT PHILIP 2009-03-26 US disclosed
EP-1928877-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS Astra Zeneca AB (SE) 2008-06-11 EP disclosed
WO-2007034173-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ASTRAZENECA AB (SE) 2007-03-29 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 (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-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ADORA3, ADORA1, P2RX1 TLR7 271/4885ADORA2A 4/4885ADORA2B 5/4885
US-20130338174-A1 PURINE DERIVATIVES HPRT1, PNP, SLC29A1 TLR7 288/4885ADORA2A 17/4885ADORA2B 45/4885
US-20100093998-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 TLR7 4/4885ADORA2A 25/4885ADORA2B 56/4885

“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.