SCHEMBL29302909

SCHEMBL29302909

N#Cc1cc(C2CC2)cn2cc(CNc3ccnc(Br)c3)nc12

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PREP P48147 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ KLKB1 P03952 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
SCHEMBL27033902 0.88 NPC1 (0.32) KDM4EALDH1A1P2RX3P2RX2DRD2
SCHEMBL24738266 0.88 KLKB1 (0.34) KDM4EALDH1A1P2RX3P2RX2DRD2
SCHEMBL24737618 0.85 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1NPC1
SCHEMBL24738567 0.84 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL24738565 0.83 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL24738566 0.83 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL24738210 0.82 AR (0.37) SLC6A2SLC6A4SLC6A3NPC1RAB9A
SCHEMBL24739276 0.82 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3KLKB1
SCHEMBL24739096 0.82 KLKB1 (0.37) SLC6A2SLC6A4SLC6A3KDM4ENPC1
SCHEMBL24739278 0.82 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3KLKB1

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
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
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

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 SLC6A2 3559/4885SLC6A4 3724/4885SLC6A3 3910/4885

“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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