SCHEMBL29305590

SCHEMBL29305590

Nc1ncncc1CCc1cn2cc(C3CC3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.39
▸ METTL3 Q86U44 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL29880148 0.81 KLKB1 (0.39) KLKB1METTL3
SCHEMBL24739315 0.81 KLKB1 (0.39) KLKB1METTL3
SCHEMBL20219326 0.77 PDE10A (0.55) PDE10A
SCHEMBL21368346 0.73 METTL3 (0.45) KLKB1METTL3
Hydrochloric Acid SCHEMBL27030366 0.72 METTL3 (0.44) KLKB1METTL3
SCHEMBL27030418 0.71 METTL3 (0.43) KLKB1METTL3
SCHEMBL29830223 0.71 METTL3 (0.43) KLKB1METTL3
SCHEMBL29879197 0.71 METTL3 (0.40) KLKB1METTL3
SCHEMBL29174241 0.71 METTL3 (0.40) KLKB1METTL3
SCHEMBL21354799 0.70 METTL3 (0.45) KLKB1METTL3

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 KLKB1 1/4885METTL3 4596/4885PDE10A 3274/4885

“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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