SCHEMBL20529658

SCHEMBL20529658

Nc1ncc(Cl)cc1NCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
IL1B P01584 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KCNH2 Q12809 1/20 0.32
FGFR3 P22607 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BACE1 P56817 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
GPR39 O43194 1/20 0.31
DHFR P00374 1/20 0.31
ATR Q13535 1/20 0.31
AR P10275 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
SCHEMBL20529659 0.74 MAPT (0.40) IDO1
SCHEMBL20529705 0.73 IL1B (0.31) IL1BNLRP3KCNH2IRAK4HSD17B10
SCHEMBL29989266 0.73 IL1B (0.31) IL1BNLRP3KCNH2IRAK4HSD17B10
SCHEMBL20810100 0.72 MAP4K3 (0.31) MAP4K3
SCHEMBL20718230 0.71 IDO1 (0.39) IDO1KCNH2HTT
SCHEMBL20859298 0.71 IDO1 (0.39) IDO1KCNH2HTTHSD17B10
SCHEMBL24024876 0.70 MAPKAPK2 (0.37)
SCHEMBL22023374 0.68 P2RX3 (0.36) P2RX3P2RX2
SCHEMBL15740516 0.68 MBOAT4 (0.32) HSD17B10P2RX3P2RX2
SCHEMBL1583813 0.67 IDO1 (0.43) IDO1HTTHSD17B10PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-11-18 US disclosed
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-11-18 US disclosed
WO-2018187480-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-10-11 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-11731966-B2 Compounds and their methods of use SCN1A, SCN3A, SCN1B IDO1 4747/4885IL1B 4859/4885NLRP3 2827/4885
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B IDO1 4747/4885IL1B 4859/4885NLRP3 2827/4885

“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.