SCHEMBL6826450

SCHEMBL6826450

COc1cccc2sc(C3=NCCN3)c(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 5/20 0.43
▸ PDCD1LG2 Q9BQ51 4/20 0.43
▸ NISCH Q9Y2I1 4/20 0.42
▸ PDCD1 Q15116 1/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ MAOB P27338 1/20 0.37

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
SCHEMBL6823963 0.83 NISCH (0.40) CD274PDCD1LG2NISCHADRA2AADRA2B
SCHEMBL6824496 0.81 NISCH (0.38) CD274PDCD1LG2NISCH
SCHEMBL6824005 0.80 TAAR1 (0.42) CD274PDCD1LG2NISCHADRA2AADRA2B
SCHEMBL6824335 0.74 NISCH (0.46) NISCHALDH1A1
SCHEMBL6825141 0.68 NISCH (0.46) NISCH
SCHEMBL2257985 0.66 NISCH (0.51) CD274PDCD1LG2NISCHKCNH2
SCHEMBL11156503 0.66 NISCH (0.51) CD274PDCD1LG2NISCHKCNH2
SCHEMBL8194659 0.65 NISCH (0.58) CD274PDCD1LG2NISCHADRA2AADRA2B
SCHEMBL14246838 0.65 ALDH1A1 (0.37) ALDH1A1
SCHEMBL23949063 0.65 CD274 (0.62) CD274PDCD1LG2NISCHPDCD1KCNH2

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-20040009976-A1 Hypoglycemic imidazoline compounds TAKEUCHI KUMIKO (US) 2004-01-15 — — US disclosed
EP-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 — — EP disclosed
EP-1266897-A2 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 2002-12-18 — — EP disclosed
US-6410562-B1 ANTIDIABETIC AGENTS ELI LILLY AND COMPANY 2002-06-25 — — US disclosed
WO-1999032482-A1 HYPOGLYCEMIC IMIDAZOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-07-01 — — WO disclosed
EP-0924209-A1 Hypoglycemic imidazoline compounds ELI LILLY AND COMPANY (US) 1999-06-23 — — EP 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 (1 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-20040009976-A1 Hypoglycemic imidazoline compounds GPR119, IAPP, GLP1R CD274 4124/4885PDCD1LG2 4073/4885NISCH 277/4885

“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.

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