SCHEMBL4142807

SCHEMBL4142807

CCCCOc1nc(N)c2nc(Br)n(-c3ccc(OCCCO)nc3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.41
IL6 P05231 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4129651 0.97 TLR7 (0.41) TLR7IL6ADORA2AADORA2B
SCHEMBL4148559 0.87 TLR7 (0.41) TLR7IL6ADORA2AADORA2B
SCHEMBL4133491 0.85 TLR7 (0.40) TLR7IL6ADORA2AADORA2B
SCHEMBL4135343 0.83 TLR7 (0.53) TLR7IL6
SCHEMBL13849545 0.80 TLR7 (0.52) TLR7IL6
SCHEMBL4134349 0.79 TLR7 (0.54) TLR7IL6
SCHEMBL14153739 0.75 TLR7 (0.53) TLR7IL6
SCHEMBL4135725 0.74 TLR7 (0.50) TLR7IL6ADORA2AADORA2B
SCHEMBL4129551 0.74 TLR7 (0.52) TLR7IL6
SCHEMBL4127024 0.72 TLR7 (0.49) TLR7IL6ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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 (1 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 TLR7 389/4885IL6 3503/4885ADORA2A 2/4885

“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.