SCHEMBL29879462

SCHEMBL29879462

CN1C(=O)CN(c2cc(C3CC3)cn3cc(CNc4cc(NC(=O)OC(C)(C)C)cc(F)c4Cl)nc23)C1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 6/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ MAPKAPK2 P49137 1/20 0.30
▸ KLKB1 P03952 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL24738464 1.00 RORC (0.32) RORCDGAT1BRD4BRD2BRD3
SCHEMBL24738457 0.84 RXRA (0.33) KLKB1RXRAGRIN1GRIN2B
SCHEMBL24738467 0.84 KLKB1 (0.32) KLKB1RXRAGRIN1GRIN2B
SCHEMBL24737419 0.82 CA1 (0.36) MAPKAPK2
SCHEMBL29879297 0.80 KLKB1 (0.31) KLKB1
SCHEMBL24738458 0.80 KLKB1 (0.31) KLKB1
SCHEMBL30997756 0.79 KLKB1 (0.31) KLKB1
SCHEMBL29302913 0.79 KLKB1 (0.31) KLKB1
SCHEMBL29879561 0.78 KDM4E (0.31) —
SCHEMBL24740040 0.76 CYP17A1 (0.34) KLKB1

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
EP-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP 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 RORC 4318/4885DGAT1 986/4885BRD4 2173/4885

“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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