SCHEMBL20529702

SCHEMBL20529702

Oc1ccc(-c2ccc3nnn(CC(F)(F)F)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 5/20 0.56
RPS6KA3 P51812 1/20 0.40
ESR1 P03372 1/20 0.39
DGAT1 O75907 1/20 0.37
KCNH2 Q12809 1/20 0.37
KIF11 P52732 2/20 0.36
NT5E P21589 1/20 0.36
BRD4 O60885 1/20 0.36
GRM2 Q14416 3/20 0.35
KMO O15229 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 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
SCHEMBL24024564 0.82 TDO2 (0.53) TDO2BRD4
SCHEMBL20529667 0.80 TDO2 (0.53) TDO2GRM2
SCHEMBL24024556 0.76 TDO2 (0.47) TDO2KCNH2BRD4
SCHEMBL20529669 0.76 TDO2 (0.51) TDO2NT5EGRM2KMOMGAM
SCHEMBL24024526 0.76 TDO2 (0.49) TDO2DGAT1
SCHEMBL24024584 0.75 TDO2 (0.48) TDO2AAK1
SCHEMBL1994093 0.73 RPS6KA3 (0.40) TDO2RPS6KA3ESR1KMOMGAM
SCHEMBL26004861 0.72 TDO2 (0.43) TDO2BRD4
SCHEMBL24024562 0.70 TDO2 (0.48) TDO2NT5EAAK1
SCHEMBL24024549 0.70 TDO2 (0.46) TDO2DGAT1KCNH2BRD4

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-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-11731966-B2 Compounds and their methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-08-22 US disclosed
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-11-18 US disclosed
WO-2018187480-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-10-11 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-11731966-B2 Compounds and their methods of use SCN1A, SCN3A, SCN1B TDO2 4221/4885RPS6KA3 3337/4885ESR1 4655/4885
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B TDO2 4221/4885RPS6KA3 3337/4885ESR1 4655/4885

“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.