SCHEMBL2060315

SCHEMBL2060315

COC(=O)CCc1nc(N)c2nc(Br)n(Cc3ccc(C)nc3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.38
▸ ADORA1 P30542 5/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ TLR7 Q9NYK1 8/20 0.37
▸ CCR9 P51686 1/20 0.35
▸ TMIGD3 P0DMS9 3/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ TKT P29401 1/20 0.34

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
SCHEMBL10299407 0.90 TLR7 (0.38) ADORA2AADORA1CYP11B1CYP11B2TLR7
SCHEMBL2060420 0.89 TLR7 (0.40) ADORA2AADORA1CYP11B1CYP11B2TLR7
SCHEMBL10309723 0.84 ADORA2A (0.44) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL2060257 0.83 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL5474204 0.82 TLR7 (0.46) ADORA2AADORA1TLR7TMIGD3ADORA2B
SCHEMBL10174470 0.78 TSHR (0.40) ADORA2AADORA1TLR7
SCHEMBL2060146 0.76 TLR7 (0.42) ADORA2AADORA1CYP11B1CYP11B2TLR7
SCHEMBL2060338 0.75 TLR7 (0.52) TLR7
SCHEMBL2060646 0.75 TLR7 (0.48) ADORA2AADORA1CYP11B1CYP11B2TLR7
SCHEMBL2060449 0.74 TLR7 (0.51) ADORA2AADORA1TLR7TMIGD3ADORA2B

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
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 — — EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 — — US disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 — — US disclosed
EP-1550662-A1 NOVEL ADENINE COMPOUND AND USE THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-06 — — 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 ADORA2A 6/4885ADORA1 1/4885CYP11B1 53/4885
US-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 ADORA2A 6/4885ADORA1 1/4885CYP11B1 53/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ADORA2A 4/4885ADORA1 1/4885CYP11B1 29/4885

“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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