SCHEMBL2262249

SCHEMBL2262249

COc1ccc(N2C(=O)C=CC2=O)c2occc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.49
G6PD P11413 1/20 0.49
MGLL Q99685 4/20 0.49
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
CCR6 P51684 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CYP3A4 P08684 4/20 0.40
KDM4E B2RXH2 4/20 0.40

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
SCHEMBL2262607 0.76 TLR9 (0.38) TLR9G6PDMGLLALDH1A1HSP90AA1
SCHEMBL28125752 0.74 ALDH1A1 (0.56) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL2265664 0.70 MGLL (0.44) TLR9G6PDMGLLALDH1A1HPGD
SCHEMBL806499 0.70 ALDH1A1 (0.43) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL2266044 0.69 TLR9 (0.50) TLR9MGLL
SCHEMBL2120997 0.68 ALDH1A1 (0.42) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL19776358 0.68 ALDH1A1 (0.46) TLR9G6PDALDH1A1HPGDLMNA
SCHEMBL12804046 0.68 ALDH1A1 (0.42) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL7064960 0.68 IDO1 (0.50) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL2125034 0.68 IMPDH2 (0.54) ALDH1A1HPGDLMNAMAPTMEN1

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 1626/4885G6PD 283/4885MGLL 3502/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885G6PD 283/4885MGLL 3502/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885G6PD 283/4885MGLL 3502/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885G6PD 283/4885MGLL 3502/4885

“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.