SCHEMBL4136764

SCHEMBL4136764

COCCNc1nc(N)c2nc(Br)n(C3CCCCO3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ADORA2A P29274 7/20 0.38
ADORA1 P30542 6/20 0.38
ADORA2B P29275 6/20 0.38
TMIGD3 P0DMS9 3/20 0.38
PDE8B O95263 4/20 0.35
PDE4B Q07343 1/20 0.35
FLT3 P36888 1/20 0.35
ADORA3 P0DMS8 3/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4136783 0.88 ALDH1A1 (0.42) ALDH1A1ADORA2AADORA2BPDE8BPDE4B
SCHEMBL30731519 0.86 ADORA2A (0.45) ADORA2AADORA1ADORA2BTMIGD3PDE8B
SCHEMBL3324519 0.86 ADORA2A (0.45) ADORA2AADORA1ADORA2BTMIGD3PDE8B
SCHEMBL3322870 0.86 ADORA2A (0.43) ALDH1A1ADORA2AADORA1ADORA2BTMIGD3
SCHEMBL2198592 0.82 TLR7 (0.41) ADORA2AADORA1ADORA2BPDE8BADORA3
SCHEMBL4136423 0.80 ALDH1A1 (0.49) ALDH1A1ADORA2AADORA2BFLT3MEN1
SCHEMBL3378114 0.77 ADORA2A (0.35) ADORA2AADORA1ADORA2BTMIGD3PDE8B
SCHEMBL16882930 0.77 ADORA2A (0.35) ADORA2AADORA1ADORA2BTMIGD3PDE8B
SCHEMBL1848717 0.77 ADORA2A (0.35) ADORA2AADORA1ADORA2BTMIGD3PDE8B
SCHEMBL2200724 0.77 ADORA2A (0.41) ALDH1A1ADORA2AADORA2BPDE8BFLT3

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 4 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
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
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 ALDH1A1 115/4885ADORA2A 2/4885ADORA1 1/4885

“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.