Sugi Predict

Sugi Predict / Compounds / SCHEMBL2265664

SCHEMBL2265664

SCHEMBL2265664

COc1cc(N2C(=O)C=CC2=O)c2occc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.44
▸ MAPK1 P28482 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MAOA P21397 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ CYP2A13 Q16696 1/20 0.42
▸ TLR9 Q9NR96 2/20 0.42
▸ G6PD P11413 1/20 0.42
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL2268587 0.78 MGLL (0.38) MGLLMAPK1CYP3A4MAOACYP1A2
SCHEMBL2266044 0.72 TLR9 (0.50) MGLLTLR9
SCHEMBL10044955 0.72 CYP3A4 (0.42) MAPK1CYP3A4MAOACYP1A2CYP2D6
SCHEMBL119906 0.72 CYP3A4 (0.47) MAPK1CYP3A4MAOACYP1A2CYP2D6
SCHEMBL28792255 0.72 CYP3A4 (0.47) MAPK1CYP3A4MAOACYP1A2CYP2D6
SCHEMBL4984623 0.72 MAOA (0.42) MAPK1CYP3A4MAOACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2263189 0.71 TLR9 (0.48) MGLLTLR9
SCHEMBL19783319 0.70 CYP1A2 (0.41) MAPK1CYP3A4MAOACYP1A2CYP2D6
SCHEMBL4295622 0.70 MAOA (0.48) MAPK1CYP3A4MAOACYP1A2CYP2D6
SCHEMBL4988758 0.70 ERN1 (0.53) MAPK1CYP3A4MAOACYP1A2CYP2D6

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 45/4885CYP3A4 2350/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885MAPK1 45/4885CYP3A4 2350/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885MAPK1 45/4885CYP3A4 2350/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885MAPK1 45/4885CYP3A4 2350/4885

“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.