SCHEMBL29830104

SCHEMBL29830104

Cc1ccnc([C@H]2C[C@@H]2c2cnc3ccc(Br)cc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
PSMB5 P28074 2/20 0.33
CHRNA7 P36544 1/20 0.33
RXFP1 Q9HBX9 1/20 0.31
TNF P01375 1/20 0.31

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
SCHEMBL27030396 1.00 SLC6A4 (0.35) SLC6A4PSMB5CHRNA7RXFP1TNF
SCHEMBL30945561 0.84 SLC6A4 (0.51) SLC6A4CHRNA7TNF
SCHEMBL29830542 0.83 CHRNA7 (0.37) SLC6A4PSMB5CHRNA7
SCHEMBL27030472 0.81 RXFP1 (0.31) RXFP1TNF
SCHEMBL27030256 0.81 RXFP1 (0.31) RXFP1TNF
SCHEMBL29829880 0.81 RXFP1 (0.31) RXFP1TNF
SCHEMBL27030430 0.80 NPC1 (0.37)
SCHEMBL29830347 0.79 EGFR (0.35) PSMB5CHRNA7
SCHEMBL27030249 0.79 EGFR (0.35) PSMB5CHRNA7
SCHEMBL30945553 0.76 ALDH1A1 (0.45) SLC6A4CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 SLC6A4 4139/4885PSMB5 1517/4885CHRNA7 4700/4885

“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.