SCHEMBL21632232

SCHEMBL21632232

NC(=O)c1ccnc(Cc2cnc3cc(F)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.47
▸ MAP4K1 Q92918 14/20 0.47
▸ MBOAT4 Q96T53 1/20 0.40
▸ HPGDS O60760 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL21632206 0.91 KLKB1 (0.49) KLKB1MAP4K1TNIK
SCHEMBL17909770 0.89 KLKB1 (0.46) KLKB1MAP4K1MAOB
SCHEMBL21632183 0.86 KLKB1 (0.48) KLKB1MAP4K1
SCHEMBL17909742 0.84 KLKB1 (0.47) KLKB1MAP4K1MBOAT4
SCHEMBL1569191 0.81 FYN (0.48) KLKB1MAP4K1MBOAT4GRM2MAOB
SCHEMBL17447258 0.80 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL21632423 0.79 KLKB1 (0.58) KLKB1MAP4K1
SCHEMBL17909745 0.79 KLKB1 (0.54) KLKB1MAP4K1MBOAT4
SCHEMBL1568328 0.78 MBOAT4 (0.44) KLKB1MAP4K1MBOAT4GRM2MAOB
SCHEMBL16880704 0.78 KLKB1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 — — 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885MBOAT4 4725/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885MBOAT4 4725/4885

“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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