SCHEMBL24739096

SCHEMBL24739096

CC(=O)c1cc(C2CC2)cn2cc(CNc3ccnc(Br)c3)nc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 7/20 0.37
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ AR P10275 4/20 0.33
▸ BRAF P15056 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ METTL3 Q86U44 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL24737622 0.87 BRAF (0.35) KLKB1SLC6A2SLC6A4SLC6A3AR
SCHEMBL29136784 0.85 KLKB1 (0.32) KLKB1SLC6A2SLC6A4SLC6A3AR
SCHEMBL24738210 0.85 AR (0.37) KLKB1SLC6A2SLC6A4SLC6A3AR
SCHEMBL24738565 0.84 SLC6A2 (0.33) KLKB1SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL24737618 0.84 SLC6A2 (0.34) KLKB1SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL24739094 0.84 SLC6A2 (0.33) KLKB1SLC6A2SLC6A4SLC6A3AR
SCHEMBL24739095 0.84 SLC6A2 (0.35) KLKB1SLC6A2SLC6A4SLC6A3AR
SCHEMBL24738567 0.83 SLC6A2 (0.34) KLKB1SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL24739278 0.83 SLC6A2 (0.32) KLKB1SLC6A2SLC6A4SLC6A3METTL3
SCHEMBL29879413 0.83 SLC6A2 (0.32) KLKB1SLC6A2SLC6A4SLC6A3METTL3

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 4 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
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
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 1/4885SLC6A2 3559/4885SLC6A4 3724/4885

“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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