SCHEMBL2265856

SCHEMBL2265856

O=C1C=CC(=O)N1c1c(F)c(F)cc2ccoc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.35
FAAH O00519 3/20 0.33
MAOA P21397 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
PDE4A P27815 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2A13 Q16696 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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 SCHEMBL4037743 0.98 MGLL (0.34) MGLLFAAHMAOACYP1A2CYP3A4
SCHEMBL2260861 0.81 MGLL (0.37) MGLLFAAHMAOAHSP90AA1
SCHEMBL2260921 0.72 MGLL (0.42) MGLLFAAH
Hydrochloric Acid SCHEMBL6300520 0.69 ALDH1A1 (0.45)
SCHEMBL6304857 0.67 TRPA1 (0.33) MAOACYP1A2CYP3A4CYP2D6CYP2A6
SCHEMBL29287469 0.67 TRPA1 (0.33) MAOACYP1A2CYP3A4CYP2D6CYP2A6
SCHEMBL18876041 0.67 TRPA1 (0.36) MAOACYP1A2CYP3A4CYP2D6CYP2A6
Oxalic Acid SCHEMBL6298102 0.67 HTR6 (0.37)
SCHEMBL5253941 0.67 CYP2A6 (0.37) MAOACYP1A2CYP3A4CYP2D6CYP2A6
SCHEMBL2268587 0.67 MGLL (0.38) MGLLFAAHMAOACYP1A2CYP3A4

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 3502/4885FAAH 3368/4885MAOA 3011/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885FAAH 3368/4885MAOA 3011/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885FAAH 3368/4885MAOA 3011/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 MGLL 3502/4885FAAH 3368/4885MAOA 3011/4885

“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.