SCHEMBL26539463

SCHEMBL26539463

COCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(C)(F)F)nnc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
SCN5A Q14524 7/20 0.49
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
DYRK1A Q13627 1/20 0.38
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
PSD A5PKW4 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NPY5R Q15761 1/20 0.35
ALPI P09923 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
SCHEMBL20203981 0.92 SCN5A (0.59) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL26539445 0.89 CYP1A2 (0.49) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL26539423 0.85 SCN5A (0.52) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL26539453 0.84 SCN5A (0.51) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL26539323 0.81 CYP1A2 (0.49) CYP1A2SCN5ADYRK1AL3MBTL1SCN1A
SCHEMBL26539436 0.80 CYP1A2 (0.47) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL26539437 0.79 CYP1A2 (0.46) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL20190642 0.79 SCN5A (0.60) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL20203718 0.79 SCN5A (0.60) CYP1A2SCN5AMAPTMAPK1KDM4E
SCHEMBL26539119 0.78 CYP1A2 (0.59) CYP1A2SCN5ADYRK1AL3MBTL1SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 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 (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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885MAPT 670/4885

“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.