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SCHEMBL2262607

SCHEMBL2262607

O=C1C=CC(=O)N1c1ccc(O)c2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 3/20 0.38
▸ MGLL Q99685 11/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FAAH O00519 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ G6PD P11413 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ MET P08581 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
SCHEMBL2262249 0.76 TLR9 (0.49) TLR9MGLLHSP90AA1PKMNPSR1
SCHEMBL2268587 0.72 MGLL (0.38) TLR9MGLLHSP90AA1PKMNPSR1
SCHEMBL5062133 0.72 ESR1 (0.55) TLR9MGLLHSP90AA1PKMNPSR1
SCHEMBL9483980 0.71 IDO1 (0.39) TDP1MAPK1ALDH1A1MET
SCHEMBL2260921 0.71 MGLL (0.42) TLR9MGLLFAAHG6PD
SCHEMBL2266044 0.69 TLR9 (0.50) TLR9MGLLFAAH
SCHEMBL21972845 0.68 TLR9 (0.39) TLR9MGLLHSP90AA1PKMNPSR1
Hydrochloric Acid SCHEMBL2263189 0.68 TLR9 (0.48) TLR9MGLLFAAH
Hydrochloric Acid SCHEMBL2585634 0.66 TLR9 (0.32) TLR9MGLL
SCHEMBL2122013 0.66 UPP1 (0.33) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 — — US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-08-25 — — US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 — — US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 — — US disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 — — 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 (4 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-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 TLR9 1626/4885MGLL 3502/4885HSP90AA1 3924/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885MGLL 3502/4885HSP90AA1 3924/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885MGLL 3502/4885HSP90AA1 3924/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885MGLL 3502/4885HSP90AA1 3924/4885

“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.