SCHEMBL2265913

SCHEMBL2265913

O=C1C=C(C2=COC(Cc3ccccc3)O2)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CTRB1 P17538 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
MAOB P27338 2/20 0.32
TLR9 Q9NR96 1/20 0.32
CA2 P00918 1/20 0.32
FASN P49327 1/20 0.32
PARP1 P09874 1/20 0.31
GFER P55789 1/20 0.31
GRM2 Q14416 1/20 0.31
F2 P00734 2/20 0.30
PRSS1 P07477 2/20 0.30
MAOA P21397 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
SCHEMBL3492346 0.68 NPC1 (0.37)
SCHEMBL3137039 0.67 CES2 (0.31) CTRB1
SCHEMBL4433780 0.67 SRD5A2 (0.45)
SCHEMBL16720459 0.66
SCHEMBL640040 0.65 GFER (0.44) HDAC8GFER
SCHEMBL6344550 0.65
SCHEMBL3744743 0.65 CTRB1 (0.35) CTRB1FASNGRM2F2PRSS1
SCHEMBL5754991 0.65 TAAR1 (0.39) CTRB1FASNGRM2
SCHEMBL746094 0.65 CTRB1 (0.35) CTRB1FASNGRM2
SCHEMBL3972137 0.65 CTRB1 (0.35) CTRB1FASN

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 DDB1 553/4885CRBN 3335/4885CTRB1 4099/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 DDB1 553/4885CRBN 3335/4885CTRB1 4099/4885
US-20110207721-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 DDB1 553/4885CRBN 3335/4885CTRB1 4099/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 DDB1 553/4885CRBN 3335/4885CTRB1 4099/4885

“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.