SCHEMBL1145907

SCHEMBL1145907

CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(CN4CCC(C(N)=O)CC4)cc3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.69
IL6 P05231 10/20 0.69
TLR8 Q9NR97 1/20 0.61

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
SCHEMBL13871698 0.93 TLR7 (0.72) TLR7IL6TLR8
SCHEMBL13871697 0.92 TLR7 (0.70) TLR7IL6
SCHEMBL1146397 0.90 TLR7 (0.84) TLR7IL6TLR8
SCHEMBL1146388 0.88 TLR7 (0.68) TLR7IL6
SCHEMBL1145951 0.87 TLR7 (0.70) TLR7IL6TLR8
SCHEMBL4122217 0.87 TLR7 (0.68) TLR7IL6TLR8
SCHEMBL1146575 0.87 TLR7 (0.79) TLR7IL6
SCHEMBL29475674 0.87 TLR7 (0.79) TLR7IL6
SCHEMBL22359266 0.86 TLR7 (0.69) TLR7IL6
SCHEMBL26347224 0.86 TLR7 (0.69) TLR7IL6TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 US claimed
US-20100093998-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-04-15 US claimed
CN-101679433-A Novel adenine compound DAINIPPON SUMITOMO PHARMA CO 2010-03-24 CN claimed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 EP claimed
US-20110028715-A1 NOVEL ADENINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-03 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
CN-101679433-A Novel adenine compound DAINIPPON SUMITOMO PHARMA CO 2010-03-24 CN disclosed
EP-2133353-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-12-16 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 (2 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-20110028715-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 TLR7 4/4885IL6 3123/4885TLR8 370/4885
US-20100093998-A1 NOVEL ADENINE COMPOUND NR0B2, NR0B1, BRD7 TLR7 4/4885IL6 3201/4885TLR8 366/4885

“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.