SCHEMBL29304985

SCHEMBL29304985

O=C(Nc1cc(NCc2cn3cc(C4CC4)cc(CO)c3n2)ccn1)[C@@H]1C[C@H]1c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.38
▸ BRAF P15056 4/20 0.37
▸ TRPM5 Q9NZQ8 1/20 0.36
▸ ACVRL1 P37023 1/20 0.35

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
SCHEMBL29879450 1.00 TYK2 (0.38) TYK2BRAFTRPM5ACVRL1
SCHEMBL24738018 1.00 TYK2 (0.38) TYK2BRAFTRPM5ACVRL1
SCHEMBL29879221 0.94 TYK2 (0.37) TYK2BRAF
SCHEMBL24737785 0.94 TYK2 (0.37) TYK2BRAF
SCHEMBL29302935 0.94 TYK2 (0.40) TYK2BRAFTRPM5
SCHEMBL24738337 0.94 TYK2 (0.38) TYK2BRAF
SCHEMBL29136842 0.94 TYK2 (0.38) TYK2BRAF
SCHEMBL29136843 0.94 TYK2 (0.38) TYK2BRAF
SCHEMBL29302934 0.93 TYK2 (0.37) TYK2BRAFTRPM5ACVRL1
SCHEMBL29879383 0.93 TYK2 (0.37) TYK2BRAFTRPM5ACVRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — 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 (1 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 TYK2 1836/4885BRAF 3329/4885TRPM5 3866/4885

“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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