SCHEMBL24739924

SCHEMBL24739924

COc1nc(NCc2cn3cc(C4CC4)ccc3n2)cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.41
▸ DGAT1 O75907 1/20 0.39
▸ METTL3 Q86U44 1/20 0.38
▸ TRPM5 Q9NZQ8 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36

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
SCHEMBL29879770 1.00 KLKB1 (0.41) KLKB1DGAT1METTL3TRPM5LRRK2
SCHEMBL29879497 0.92 KLKB1 (0.41) KLKB1DGAT1METTL3LRRK2
SCHEMBL29302884 0.92 KLKB1 (0.41) KLKB1DGAT1METTL3LRRK2
SCHEMBL29305133 0.91 KLKB1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL29880163 0.91 KLKB1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL24739153 0.90 KLKB1 (0.39) KLKB1DGAT1TRPM5
SCHEMBL24737576 0.90 KLKB1 (0.40) KLKB1DGAT1METTL3LRRK2
SCHEMBL29879922 0.90 KLKB1 (0.40) KLKB1DGAT1METTL3LRRK2
SCHEMBL29878984 0.89 DGAT1 (0.42) KLKB1DGAT1METTL3LRRK2
SCHEMBL29302883 0.89 DGAT1 (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 2 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 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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