SCHEMBL20203883

SCHEMBL20203883

COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)Cl)n2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.53
SCN5A Q14524 3/20 0.53
DYRK1A Q13627 2/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FYN P06241 1/20 0.42
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL20203858 0.91 CYP1A2 (0.65) CYP1A2SCN5ADYRK1AFYNL3MBTL1
SCHEMBL26538938 0.90 CYP1A2 (0.54) CYP1A2SCN5ADYRK1AFYNTSHR
SCHEMBL20203912 0.89 CYP1A2 (0.55) CYP1A2SCN5ADYRK1AFYNTSHR
SCHEMBL24155925 0.87 CYP1A2 (0.69) CYP1A2SCN5ADYRK1AKDM4ESMN1; SMN2
SCHEMBL20203742 0.83 CYP1A2 (0.77) CYP1A2SCN5ADYRK1AFYNTSHR
SCHEMBL20203885 0.81 CYP1A2 (0.46) CYP1A2SCN5ADYRK1AFYNBRD4
SCHEMBL26545628 0.80 CYP1A2 (0.44) CYP1A2SCN5ADYRK1AFYNTSHR
SCHEMBL20203774 0.80 CYP1A2 (0.80) CYP1A2SCN5ADYRK1AKDM4ESMN1; SMN2
SCHEMBL20203834 0.79 CYP1A2 (0.68) CYP1A2SCN5ADYRK1AFYNTSHR
SCHEMBL20203736 0.78 CYP1A2 (0.53) CYP1A2SCN5ADYRK1AFYNTSHR

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-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098499-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 (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-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885DYRK1A 4493/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885SCN5A 8/4885DYRK1A 4493/4885

“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.