SCHEMBL20203736

SCHEMBL20203736

COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C3CC(F)(F)C3)n2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.53
LRRK2 Q5S007 3/20 0.43
DYRK1A Q13627 5/20 0.42
SCN5A Q14524 3/20 0.40
FYN P06241 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.34
CLK2 P49760 1/20 0.34
HASPIN Q8TF76 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
SCHEMBL26539001 0.93 CYP1A2 (0.52) CYP1A2LRRK2DYRK1ASCN5AFYN
SCHEMBL20203834 0.89 CYP1A2 (0.68) CYP1A2LRRK2DYRK1ASCN5AFYN
SCHEMBL20203733 0.81 CYP1A2 (0.78) CYP1A2LRRK2DYRK1ASCN5ACLK2
SCHEMBL20203858 0.79 CYP1A2 (0.65) CYP1A2DYRK1ASCN5AFYN
SCHEMBL26538938 0.79 CYP1A2 (0.54) CYP1A2DYRK1ASCN5AFYNTSHR
SCHEMBL20203883 0.78 CYP1A2 (0.53) CYP1A2DYRK1ASCN5AFYNTSHR
SCHEMBL20203912 0.78 CYP1A2 (0.55) CYP1A2DYRK1ASCN5AFYNTSHR
SCHEMBL20203742 0.78 CYP1A2 (0.77) CYP1A2DYRK1ASCN5AFYNTSHR
SCHEMBL26538995 0.76 CYP1A2 (0.74) CYP1A2LRRK2DYRK1ASCN5ACLK2
SCHEMBL20203885 0.75 CYP1A2 (0.46) CYP1A2DYRK1ASCN5AFYNBRD4

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 1988/4885LRRK2 2693/4885DYRK1A 4493/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CYP1A2 1988/4885LRRK2 2693/4885DYRK1A 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.