SCHEMBL20529673

SCHEMBL20529673

FC(F)(F)Cn1nnc2cnc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.41
KMO O15229 1/20 0.32
GRM2 Q14416 4/20 0.32
KDM2B Q8NHM5 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
METAP2 P50579 3/20 0.31
CYP2C9 P11712 1/20 0.30
SLC9A1 P19634 1/20 0.30

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
SCHEMBL30701769 1.00 TDO2 (0.41) TDO2KMOGRM2KDM2BPHF8
SCHEMBL29989603 0.88 TDO2 (0.41) TDO2GRM2METAP2CYP2C9SLC9A1
SCHEMBL31599650 0.75 GRM2 (0.40) KMOGRM2KDM4EALDH1A1SLC9A1
SCHEMBL24851097 0.73 HTR2A (0.35) KMOMETAP2
SCHEMBL20529676 0.72 TDO2 (0.39) TDO2METAP2
SCHEMBL20529711 0.72 MET (0.48) TDO2
SCHEMBL30701749 0.71 ALDH1A1 (0.56) TDO2GRM2KDM4EALDH1A1SLC9A1
SCHEMBL24024514 0.71 TDO2 (0.42) TDO2KDM4EALDH1A1
SCHEMBL20529669 0.70 TDO2 (0.51) TDO2KMOGRM2SLC9A1
SCHEMBL6044270 0.70 KDM4C (0.40) TDO2KMOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547657-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-05-07 EP disclosed
WO-2024006929-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-01-04 WO disclosed
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 4221/4885KMO 2000/4885GRM2 222/4885
US-20210355118-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B TDO2 4221/4885KMO 2000/4885GRM2 222/4885

“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.