SCHEMBL18697211

SCHEMBL18697211

C=N/C(=C\C(=C/C)C(=O)NCc1n[nH]c2ccc(Cl)cc12)Cc1cc(C#N)c2ncc(Cl)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.39
MAP4K1 Q92918 2/20 0.37
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
IDH1 O75874 5/20 0.31
F11 P03951 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL18458953 0.85 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL18697237 0.83 AURKA (0.33) KLKB1
SCHEMBL20616373 0.80 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL20282810 0.79 KLKB1 (0.39) KLKB1MAP4K1
SCHEMBL18458818 0.78 KLKB1 (0.47) KLKB1MAP4K1
SCHEMBL20282946 0.78 KLKB1 (0.36) KLKB1MAP4K1
SCHEMBL21657099 0.74 KLKB1 (0.46) KLKB1MAP4K1
SCHEMBL17442602 0.74 KLKB1 (0.63) KLKB1MAP4K1
SCHEMBL21064331 0.73 KLKB1 (0.45) KLKB1MAP4K1
SCHEMBL21064315 0.71 KLKB1 (0.57) 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-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
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
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PRMT5 1757/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PRMT5 1757/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PRMT5 1757/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885MAP4K1 249/4885PRMT5 1757/4885

“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.