SCHEMBL6866870

SCHEMBL6866870

NCc1ncc(Cl)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
LTA4H P09960 2/20 0.35
KCNH2 Q12809 2/20 0.35
PLAU P00749 2/20 0.32
MAOB P27338 1/20 0.32
IDO1 P14902 1/20 0.32
LOXL2 Q9Y4K0 3/20 0.31
LOX P28300 1/20 0.31
LOXL3 P58215 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MAPK1 P28482 1/20 0.31
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
TRPM5 Q9NZQ8 1/20 0.30
HRH1 P35367 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
Hydrochloric Acid SCHEMBL17824239 0.98 PRMT5 (0.36) PRMT5WDR77LTA4HKCNH2PLAU
SCHEMBL10235257 0.81 S1PR1 (0.32) LTA4HKCNH2IDO1S1PR1S1PR3
SCHEMBL10272604 0.79 CRHR1 (0.38) S1PR1S1PR3MAPK1TRPM5
SCHEMBL9952921 0.79 PLAU (0.36) LTA4HKCNH2PLAUIDO1S1PR1
Hydrochloric Acid SCHEMBL9953137 0.79 S1PR1 (0.31) LTA4HKCNH2S1PR1S1PR3MAPK1
SCHEMBL25023639 0.79 S1PR1 (0.34) LTA4HKCNH2PLAUS1PR1S1PR3
SCHEMBL357848 0.78 AGBL2 (0.39) PRMT5WDR77LOXL2
SCHEMBL2760821 0.78 PLAU (0.42) PRMT5WDR77PLAUIDO1LOXL2
SCHEMBL16213285 0.78 S1PR1 (0.31) S1PR1S1PR3MAPK1
Hydrochloric Acid SCHEMBL18764622 0.77 AGBL2 (0.38) PRMT5WDR77IDO1LOXL2HTR2A

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
WO-2011061139-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 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 (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 PRMT5 1312/4885WDR77 3820/4885LTA4H 358/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 PRMT5 1312/4885WDR77 3820/4885LTA4H 358/4885

“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.