SCHEMBL23088269

SCHEMBL23088269

NCc1c(-n2cnnn2)ccc(OC(F)(F)F)c1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ NOTUM Q6P988 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 5/20 0.34
▸ F11 P03951 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ F2 P00734 2/20 0.33

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
SCHEMBL29792712 1.00 ALDH1A1 (0.40) ALDH1A1NOTUMKMT2ATSHRPLAU
SCHEMBL29792705 0.88 NOTUM (0.39) ALDH1A1NOTUMKMT2ATSHRKLKB1
SCHEMBL23088171 0.88 NOTUM (0.39) ALDH1A1NOTUMKMT2ATSHRKLKB1
SCHEMBL23088016 0.88 NOTUM (0.42) ALDH1A1NOTUMKMT2ATSHRKLKB1
SCHEMBL29792627 0.88 NOTUM (0.42) ALDH1A1NOTUMKMT2ATSHRKLKB1
SCHEMBL17221299 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ATSHRKLKB1F11
SCHEMBL29697621 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ATSHRKLKB1F11
Hydrochloric Acid SCHEMBL21354812 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ATSHRKLKB1F11
SCHEMBL23118864 0.79 NOTUM (0.40) ALDH1A1NOTUMKMT2ATSHRPLAU
SCHEMBL23088219 0.76 NOTUM (0.51) ALDH1A1NOTUMKMT2APLAUF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221441-B2 Plasma kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-11 — — US disclosed
EP-4477220-A2 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-12-18 — — EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 — — EP disclosed
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 — — EP disclosed
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-07 — — US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 — — EP disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 — — WO disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 — — WO disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 — — US disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 — — 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 (4 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-12221441-B2 Plasma kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 ALDH1A1 3007/4885NOTUM 531/4885KMT2A 1299/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 ALDH1A1 3007/4885NOTUM 531/4885KMT2A 1299/4885
US-20230391773-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 ALDH1A1 3007/4885NOTUM 531/4885KMT2A 1299/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 ALDH1A1 3007/4885NOTUM 531/4885KMT2A 1299/4885

“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.

Send feedback