SCHEMBL24737489

SCHEMBL24737489

OCc1cn2cc(C3CC3)cc(Br)c2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
NOTUM Q6P988 1/20 0.31
KLKB1 P03952 1/20 0.30
EPHX2 P34913 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
SCHEMBL24739861 0.87 DRD2 (0.32) DRD2DRD4DRD3
SCHEMBL23088712 0.85 KLKB1 (0.42) DRD2DRD4DRD3NOTUMKLKB1
SCHEMBL21355494 0.85 DRD2 (0.32) DRD2DRD4DRD3KLKB1
SCHEMBL21368003 0.85 DRD2 (0.32) DRD2DRD4DRD3
SCHEMBL31658609 0.85 DRD2 (0.34) DRD2DRD4DRD3
SCHEMBL29137007 0.83 KDM4E (0.39) KLKB1EPHX2
SCHEMBL29302527 0.83 CTSK (0.35) DRD2DRD4DRD3
SCHEMBL21355568 0.82 PIK3R1 (0.35) PIK3R1PIK3CAKLKB1
SCHEMBL27029949 0.81 KLKB1 (0.39) KLKB1EPHX2
SCHEMBL24737542 0.81 PIK3R1 (0.31) PIK3R1PIK3CA

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 10 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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-06-20 US disclosed
EP-4308564-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
CN-117355523-A Polycyclic inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
WO-2022197789-A1 POLYCYCLIC 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 (2 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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 PIK3R1 3622/4885PIK3CA 1092/4885DRD2 4650/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 PIK3R1 2499/4885PIK3CA 1006/4885DRD2 4414/4885

“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.