SCHEMBL2260941

SCHEMBL2260941

O=C1C=CC(=O)N1c1cncc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.38
MGLL Q99685 11/20 0.37
BCHE P06276 1/20 0.35
FAAH O00519 2/20 0.34
PIN1 Q13526 1/20 0.32
G6PD P11413 1/20 0.32
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 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
Hydrochloric Acid SCHEMBL4032041 0.98 TLR9 (0.37) TLR9MGLLBCHEFAAHPIN1
SCHEMBL2266044 0.76 TLR9 (0.50) TLR9MGLLFAAH
Hydrochloric Acid SCHEMBL2263189 0.75 TLR9 (0.48) TLR9MGLLFAAH
SCHEMBL2268587 0.72 MGLL (0.38) TLR9MGLLFAAHG6PD
SCHEMBL2265664 0.70 MGLL (0.44) TLR9MGLLG6PDGSK3AGSK3B
Hydrochloric Acid SCHEMBL2585634 0.69 TLR9 (0.32) TLR9MGLLPIN1
SCHEMBL10560214 0.69 ASIC3 (0.33)
SCHEMBL17935116 0.68 GSK3A (0.31) GSK3AGSK3B
SCHEMBL2260538 0.65 CHRNB2 (0.32)
SCHEMBL2424888 0.65 KDM4E (0.31)

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 7 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-8058425-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-11-15 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 3502/4885BCHE 4084/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885MGLL 3502/4885BCHE 4084/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885MGLL 3502/4885BCHE 4084/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 TLR9 1626/4885MGLL 3502/4885BCHE 4084/4885

“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.