SCHEMBL29879714

SCHEMBL29879714

CCOC(=O)c1nc(NCc2cn3cc(C4CC4)ccc3n2)cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 11/20 0.45
▸ DGAT1 O75907 1/20 0.38
▸ METTL3 Q86U44 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL29305141 1.00 KLKB1 (0.45) KLKB1DGAT1METTL3LRRK2ALDH1A1
SCHEMBL29302884 0.94 KLKB1 (0.41) KLKB1DGAT1METTL3LRRK2
SCHEMBL29879497 0.94 KLKB1 (0.41) KLKB1DGAT1METTL3LRRK2
SCHEMBL29302883 0.90 DGAT1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL29878984 0.90 DGAT1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL24739924 0.88 KLKB1 (0.41) KLKB1DGAT1METTL3LRRK2
SCHEMBL29879770 0.88 KLKB1 (0.41) KLKB1DGAT1METTL3LRRK2
SCHEMBL29879922 0.88 KLKB1 (0.40) KLKB1DGAT1METTL3LRRK2
SCHEMBL24737576 0.88 KLKB1 (0.40) KLKB1DGAT1METTL3LRRK2
SCHEMBL29305133 0.87 KLKB1 (0.42) KLKB1DGAT1METTL3LRRK2

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US claimed
EP-4585265-A2 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2025-07-16 — — EP disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO 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 1/4885DGAT1 986/4885METTL3 4596/4885

“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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