SCHEMBL20190385

SCHEMBL20190385

FC(F)(F)c1ccc(-c2cn3ccnc3cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.51
GRM2 Q14416 3/20 0.48
CYP1A2 P05177 2/20 0.45
METAP2 P50579 1/20 0.45
DYRK1A Q13627 3/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RCE1 Q9Y256 1/20 0.43
RET P07949 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41

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
SCHEMBL13336494 0.83 NPC1 (0.51) DYRK1AKDM4ENPC1ALDH1A1NFKB1
SCHEMBL21644144 0.82 DYRK1A (0.59) GRM2CYP1A2DYRK1ATGFBR1
SCHEMBL20208560 0.81 KDM4E (0.55) CYP1A2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL1349106 0.80 DYRK1A (0.70) MCHR1GRM2CYP1A2METAP2DYRK1A
SCHEMBL1542371 0.79 CHEK1 (0.49) DYRK1AKDM4ENPC1ALDH1A1HPGD
SCHEMBL20190364 0.78 NPC1 (0.49) MCHR1CYP1A2DYRK1AKDM4ENPC1
SCHEMBL16304078 0.76 KEAP1 (0.44) METAP2DYRK1AKDM4ENPC1ALDH1A1
SCHEMBL3034110 0.75 MCHR1 (0.56) MCHR1GRM2CYP1A2METAP2DYRK1A
SCHEMBL20208584 0.73 MKNK1 (0.51) CYP1A2DYRK1AMKNK1MKNK2KDM1A
SCHEMBL19781540 0.72 CYP1A2 (0.54) GRM2CYP1A2DYRK1AKDM4ENPC1

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 4 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
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
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 MCHR1 4255/4885GRM2 222/4885CYP1A2 1988/4885

“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.