SCHEMBL4136783

SCHEMBL4136783

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
PDE8B O95263 4/20 0.35
PDE4B Q07343 1/20 0.35
POLB P06746 1/20 0.33
ATM Q13315 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FLT3 P36888 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31

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
SCHEMBL2200724 0.89 ADORA2A (0.41) ALDH1A1PDE8BADORA2AADORA2BFLT3
SCHEMBL2199492 0.88 TLR7 (0.38) PDE8BADORA2AADORA2B
SCHEMBL4136764 0.88 ALDH1A1 (0.42) ALDH1A1PDE8BPDE4BPOLBADORA2A
SCHEMBL2200726 0.82 TLR7 (0.41) PDE8BADORA2AADORA2B
SCHEMBL4136423 0.80 ALDH1A1 (0.49) ALDH1A1ADORA2AADORA2BBLMMEN1
SCHEMBL566148 0.80 PDE8B (0.33) ALDH1A1PDE8BPOLBKDM4EGAA
SCHEMBL20275410 0.80 PDE8B (0.33) ALDH1A1PDE8BPOLBKDM4EGAA
SCHEMBL20275413 0.80 PDE8B (0.33) ALDH1A1PDE8BPOLBKDM4EGAA
SCHEMBL567039 0.80 PDE8B (0.33) ALDH1A1PDE8BPOLBKDM4EGAA
SCHEMBL10121592 0.80 PDE8B (0.46) ALDH1A1PDE8BGAABLMMEN1

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 115/4885PDE8B 1515/4885PDE4B 1317/4885

“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.