SCHEMBL21028255

SCHEMBL21028255

O=C(O)c1coc(Cc2ccc3ncc(Cl)cc3c2)n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 19/20 0.60
MAP4K1 Q92918 10/20 0.43
PTGER1 P34995 1/20 0.41

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
SCHEMBL22263024 0.89 KLKB1 (0.62) KLKB1MAP4K1
SCHEMBL19780336 0.87 KLKB1 (0.58) KLKB1MAP4K1
SCHEMBL19779880 0.81 KLKB1 (0.50) KLKB1MAP4K1
SCHEMBL21177641 0.79 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL19780293 0.79 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL21177282 0.78 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL19780332 0.77 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL19779884 0.76 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL19780371 0.76 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL22426101 0.76 KLKB1 (0.46) KLKB1MAP4K1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
CN-110022875-A Therapeutic inhibiting compound 莱福斯希医药公司 2019-07-16 CN disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PTGER1 279/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PTGER1 279/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PTGER1 279/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PTGER1 279/4885

“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.