SCHEMBL567681

SCHEMBL567681

CCCCOc1nc(N)c2nc(Br)n(C3CCCCO3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 14/20 0.48
ADORA2A P29274 3/20 0.42
ADORA2B P29275 3/20 0.42
TLR8 Q9NR97 2/20 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
SCHEMBL29809145 1.00 TLR7 (0.48) TLR7ADORA2AADORA2BTLR8
SCHEMBL2197624 0.89 TLR7 (0.38) TLR7ADORA2AADORA2B
SCHEMBL24733095 0.89 TLR7 (0.49) TLR7
SCHEMBL2198592 0.89 TLR7 (0.41) TLR7ADORA2AADORA2B
SCHEMBL31124752 0.88 ADORA2A (0.41) TLR7ADORA2AADORA2B
SCHEMBL567233 0.87 TLR7 (0.47) TLR7ADORA2AADORA2BTLR8
SCHEMBL19050043 0.87 YTHDC1 (0.44) TLR7TLR8
SCHEMBL2195612 0.87 ADORA2A (0.42) TLR7ADORA2AADORA2B
SCHEMBL29809327 0.87 TLR7 (0.47) TLR7ADORA2AADORA2BTLR8
SCHEMBL2199789 0.87 ADORA2A (0.44) TLR7ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2019-02-07 US disclosed
US-10117873-B2 6-amino-purin-8-one compounds GLAXOSMITHKLINE LLC (US) 2018-11-06 US disclosed
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS GLAXOSMITHKLINE LLC 2018-05-03 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
WO-2008114008-A1 9-SUBSTITUTED-8-OXO-ADENINE COMPOUNDS AS TOLL-LIKE RECEPTOR (TLR7 ) MODULATORS ASTRAZENECA AB (SE) 2008-09-25 WO disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 WO disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939200-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
WO-2008004948-A1 8-OXOADENINE DERIVATIVES ACTING AS MODULATORS OF TLR7 ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070190071-A1 9-Substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 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 (5 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TLR7 612/4885ADORA2A 2/4885ADORA2B 6/4885
US-20070190071-A1 9-Substituted 8-oxoadenine compound IFNAR1, IL5, IFNG TLR7 8/4885ADORA2A 83/4885ADORA2B 99/4885
US-20190038631-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TLR7 7/4885ADORA2A 78/4885ADORA2B 46/4885
US-10117873-B2 6-amino-purin-8-one compounds IFNG, IFNAR1, IRF3 TLR7 7/4885ADORA2A 78/4885ADORA2B 46/4885
US-20180117048-A1 6-AMINO-PURIN-8-ONE COMPOUNDS IFNG, IFNAR1, IRF3 TLR7 7/4885ADORA2A 78/4885ADORA2B 46/4885

“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.