SCHEMBL20282926

SCHEMBL20282926

C=N/C(=C\C(=C/C)C(=O)NCc1ccc2c(N)noc2c1)Cc1ccc2ncc(C)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 16/20 0.57
MAP4K1 Q92918 4/20 0.57
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.33
KLK1 P06870 1/20 0.33
F7 P08709 2/20 0.32
F3 P13726 1/20 0.32

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
SCHEMBL18697145 0.92 KLKB1 (0.57) KLKB1MAP4K1MASP2F7F3
SCHEMBL20616378 0.79 KLKB1 (0.55) KLKB1MAP4K1KLK1
SCHEMBL19354570 0.76 KLKB1 (0.45) KLKB1MAP4K1KLK1
SCHEMBL18458794 0.75 KLKB1 (0.55) KLKB1MAP4K1KLK1
SCHEMBL18697172 0.74 KLKB1 (0.60) KLKB1MAP4K1KLK1
SCHEMBL16880670 0.73 KLKB1 (1.00) KLKB1MAP4K1
SCHEMBL21064331 0.73 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL18697232 0.72 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL18458339 0.72 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL19354844 0.72 KLKB1 (0.57) KLKB1MAP4K1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 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 (2 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-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885MASP2 37/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885MASP2 37/4885

“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.