SCHEMBL4139864

SCHEMBL4139864

COC(=O)Cc1cccc(OCCCCN(C)Cc2ccc(Cn3c(=O)n(NCc4ccncc4)c4c(N)ncnc43)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 4/20 0.39
▸ SLC2A1 P11166 4/20 0.36
▸ SLC2A4 P14672 2/20 0.36
▸ PDE1B Q01064 1/20 0.35
▸ ACHE P22303 8/20 0.35
▸ BCHE P06276 2/20 0.35
▸ SLC2A8 Q9NY64 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL4139859 0.80 TLR7 (0.53) TLR7
SCHEMBL4144495 0.69 TLR7 (0.74) TLR7
SCHEMBL4136692 0.69 TLR7 (0.74) TLR7
SCHEMBL4152858 0.69 TLR7 (0.72) TLR7
SCHEMBL13849531 0.66 TLR7 (0.79) TLR7
SCHEMBL4127893 0.66 TLR7 (0.73) TLR7
SCHEMBL4128442 0.66 TLR7 (0.72) TLR7
SCHEMBL13849532 0.64 TLR7 (0.57) TLR7
SCHEMBL14025120 0.64 ACHE (0.49) ACHEBCHECYP2D6
SCHEMBL4577771 0.63 ALDH1A1 (0.51) ACHEBCHECYP2D6

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 389/4885SLC2A1 747/4885SLC2A4 1644/4885

“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.

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