SCHEMBL29304996

SCHEMBL29304996

CCc1cc(C2CC2)cn2cc(CNc3ccnc(NC(=O)C4CC4)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 4/20 0.44
▸ BRAF P15056 6/20 0.44
▸ TYK2 P29597 8/20 0.42
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL24738254 0.93 ACVRL1 (0.44) ACVRL1BRAFTYK2PIK3C3JAK2
SCHEMBL24739947 0.89 ACVRL1 (0.40) ACVRL1BRAFTYK2PIK3C3JAK2
SCHEMBL29302935 0.84 TYK2 (0.40) BRAFTYK2
SCHEMBL24737728 0.84 ACVRL1 (0.48) ACVRL1BRAFTYK2PIK3C3JAK2
SCHEMBL24737624 0.82 ACVRL1 (0.42) ACVRL1BRAFTYK2PIK3C3JAK2
SCHEMBL29304981 0.81 BRAF (0.39) ACVRL1BRAFTYK2PIK3C3JAK2
SCHEMBL29305556 0.79 BRAF (0.37) ACVRL1BRAFTYK2PIK3C3JAK2
SCHEMBL29879615 0.78 TYK2 (0.39) BRAFTYK2
SCHEMBL24738018 0.78 TYK2 (0.38) ACVRL1BRAFTYK2
SCHEMBL29879450 0.78 TYK2 (0.38) ACVRL1BRAFTYK2

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 ACVRL1 3569/4885BRAF 3329/4885TYK2 1836/4885

“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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