Sugi Predict

Sugi Predict / Compounds / SCHEMBL2268587

SCHEMBL2268587

SCHEMBL2268587

O=C1C=CC(=O)N1c1cc(O)cc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TLR9 Q9NR96 2/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ CYP2A13 Q16696 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL2265664 0.78 MGLL (0.44) MGLLMAPK1HSP90AA1PKMNPSR1
SCHEMBL2266044 0.75 TLR9 (0.50) MGLLTLR9FAAH
Hydrochloric Acid SCHEMBL2263189 0.73 TLR9 (0.48) MGLLTLR9FAAH
SCHEMBL2262607 0.72 TLR9 (0.38) MGLLMAPK1HSP90AA1PKMNPSR1
SCHEMBL2260941 0.72 TLR9 (0.38) MGLLTLR9G6PDFAAH
Hydrochloric Acid SCHEMBL4032041 0.71 TLR9 (0.37) MGLLTLR9G6PDFAAH
SCHEMBL28175889 0.70 NQO2 (0.41) MAPK1TDP1CYP1A2CYP3A4CYP2D6
SCHEMBL15068030 0.70 ESR1 (0.47) MAPK1HSP90AA1CYP1A2CYP3A4CYP2D6
SCHEMBL2265856 0.67 MGLL (0.35) MGLLMAPK1HSP90AA1CYP1A2CYP3A4
SCHEMBL2260921 0.67 MGLL (0.42) MGLLTLR9G6PDFAAH

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 MGLL 3502/4885MAPK1 45/4885HSP90AA1 3924/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885MAPK1 45/4885HSP90AA1 3924/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885MAPK1 45/4885HSP90AA1 3924/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885MAPK1 45/4885HSP90AA1 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.