SCHEMBL18360306

SCHEMBL18360306

Cc1nc(N)ccc1CNC(=O)c1ccnc(Cc2ccc(Cn3ccccc3=O)c(S(C)(=O)=O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 20/20 0.56
MAP4K1 Q92918 14/20 0.56
KLK1 P06870 1/20 0.43

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
SCHEMBL16891551 0.91 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL20266886 0.90 KLKB1 (0.47) KLKB1MAP4K1KLK1
SCHEMBL20266917 0.90 KLKB1 (0.58) KLKB1MAP4K1KLK1
SCHEMBL18360084 0.90 KLKB1 (0.45) KLKB1MAP4K1KLK1
SCHEMBL20266881 0.89 KLKB1 (0.60) KLKB1MAP4K1KLK1
SCHEMBL20266860 0.89 KLKB1 (0.51) KLKB1MAP4K1KLK1
SCHEMBL20266924 0.88 KLKB1 (0.58) KLKB1MAP4K1KLK1
SCHEMBL20266887 0.88 KLKB1 (0.46) KLKB1MAP4K1KLK1
SCHEMBL20266853 0.88 KLKB1 (0.57) KLKB1MAP4K1
SCHEMBL20266925 0.88 KLKB1 (0.48) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 US claimed
US-10981893-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-04-20 US disclosed
US-10981893-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-04-20 US disclosed
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed
US-20190263783-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-08-29 US disclosed
US-20190263783-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-08-29 US disclosed
WO-2017001926-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC (BB) 2017-01-05 WO 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 (3 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-10981893-B2 Therapeutic inhibitory compounds SERPINB1, KLKB1, SERPINE1 KLKB1 2/4885MAP4K1 271/4885KLK1 5/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885KLK1 5/4885
US-20190263783-A1 THERAPEUTIC INHIBITORY COMPOUNDS SERPINB1, KLKB1, SERPINE1 KLKB1 2/4885MAP4K1 322/4885KLK1 6/4885

“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.