SCHEMBL23118474

SCHEMBL23118474

COc1ccc(NN=C(c2ccccc2)c2ccccc2)c(CNC(=O)OC(C)(C)C)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ DRD2 P14416 5/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ RPS6KA1 Q15418 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL29792537 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL23088251 0.88 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL23118466 0.79 ALDH1A1 (0.43) MEN1KMT2AALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL23088234 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL29792702 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL23088089 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL23139806 0.76 EPAS1 (0.43) ALDH1A1GAAKDM4ADRD2RPS6KA1
SCHEMBL23139992 0.76 EPAS1 (0.43) ALDH1A1GAAMAPK1KDM4ADRD2
SCHEMBL17785276 0.73 RPS6KA1 (0.55) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL23118676 0.73 EPAS1 (0.38) ALDH1A1GAAKDM4ADRD2RPS6KA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 — — EP 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
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-9511058-B2 Methods for using carboxamide, sulfonamide and amine compounds RIGEL PHARMACEUTICALS INC. (US) 2016-12-06 — — 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 (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-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 MEN1 633/4885KMT2A 1299/4885ALDH1A1 3007/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 MEN1 633/4885KMT2A 1299/4885ALDH1A1 3007/4885

“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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