SCHEMBL29656789

SCHEMBL29656789

FC(F)(F)COc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.51
CHRNA4 P43681 7/20 0.51
GRM2 Q14416 1/20 0.48
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRND Q07001 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6750074 1.00 CHRNB2 (0.51) CHRNB2CHRNA4GRM2CHRNA3CHRNA7
SCHEMBL27585110 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL32685326 0.84 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL28027837 0.82 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL28028484 0.81 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL30896087 0.81 GRM2 (0.41) CHRNB2CHRNA4GRM2LMNA
SCHEMBL13301353 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL28219902 0.80 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL16115213 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL28006536 0.78

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
WO-2024008178-A1 KRAS G12D INHIBITOR AND APPLICATION THEREOF IN MEDICINE 贝达药业股份有限公司 2024-01-11 WO disclosed
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 US disclosed
CN-115135647-A Pesticidally active fused bicyclic heteroaromatic amino compounds 先正达农作物保护股份公司 2022-09-30 CN disclosed
CN-115023420-A Pesticidally active fused bicyclic heteroaromatic compounds 先正达农作物保护股份公司 2022-09-06 CN disclosed
CN-115003666-A Pesticidally active fused bicyclic heteroaromatic amino compounds 先正达农作物保护股份公司 2022-09-02 CN disclosed
CN-114630825-A Pesticidally active fused bicyclic heteroaromatic compounds 先正达农作物保护股份公司 2022-06-14 CN 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-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 CHRNB2 3669/4885CHRNA4 4317/4885GRM2 4645/4885

“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.