SCHEMBL10174248

SCHEMBL10174248

CCCCOc1nc(N)c2ncn(Cc3ccc(S)nc3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.47
CYP3A4 P08684 3/20 0.44
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
CYP2D6 P10635 1/20 0.43
IL6 P05231 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
SCHEMBL4129389 0.87 TLR7 (0.48) TLR7CYP3A4CYP2D6
SCHEMBL4476974 0.86 TLR7 (0.48) TLR7IL6
SCHEMBL4129354 0.84 TLR7 (0.50) TLR7ADORA2AADORA2BIL6
SCHEMBL4135725 0.84 TLR7 (0.50) TLR7ADORA2AADORA2BIL6
SCHEMBL2060324 0.84 TLR7 (0.51) TLR7CYP3A4ADORA2AADORA2B
SCHEMBL7204649 0.83 TLR7 (0.64) TLR7ADORA2A
SCHEMBL4127024 0.83 TLR7 (0.49) TLR7ADORA2AADORA2BIL6
SCHEMBL30503503 0.83 TLR7 (0.50) TLR7CYP3A4ADORA2AADORA2BCYP2D6
SCHEMBL22347140 0.83 TLR7 (0.50) TLR7CYP3A4ADORA2AADORA2BCYP2D6
SCHEMBL20756629 0.82 TLR7 (0.43) TLR7CYP3A4ADORA2AADORA2B

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 8 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
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-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

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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 TLR7 265/4885CYP3A4 91/4885ADORA2A 6/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 TLR7 252/4885CYP3A4 106/4885ADORA2A 4/4885

“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.