SCHEMBL20208560

SCHEMBL20208560

FC(F)(F)Oc1ccc(-c2cn3ccnc3cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
SCN5A Q14524 13/20 0.48
CYP1A2 P05177 6/20 0.42
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
F2RL3 Q96RI0 1/20 0.38

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
SCHEMBL20190385 0.81 MCHR1 (0.51) KDM4ENPC1ALDH1A1RAB9ASCN5A
SCHEMBL20208546 0.81 SCN5A (0.61) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL20190544 0.80 SCN5A (0.67) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL13336494 0.79 NPC1 (0.51) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL19781540 0.78 CYP1A2 (0.54) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL23087272 0.77 DYRK1A (0.45) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL1542371 0.76 CHEK1 (0.49) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL21644144 0.76 DYRK1A (0.59) MAPTCYP1A2
SCHEMBL16304078 0.75 KEAP1 (0.44) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL20190641 0.75 CYP1A2 (0.66) KDM4ENPC1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098500-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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-20210188839-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B KDM4E 2066/4885NPC1 218/4885ALDH1A1 916/4885

“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.