SCHEMBL19150095

SCHEMBL19150095

Fc1ccc2nc(C(F)F)cc(C(F)Cl)c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.37
▸ ACHE P22303 5/20 0.37
▸ GRIN1 Q05586 5/20 0.37
▸ GRIN2A Q12879 5/20 0.37
▸ DHODH Q02127 4/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ IDO2 Q6ZQW0 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ MPO P05164 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL19150073 0.88 DHODH (0.37) BCHEACHEGRIN1GRIN2ADHODH
SCHEMBL19148204 0.80 MAOA (0.38) ACHEALDH1A1GAAKDM4EBACE1
SCHEMBL19149165 0.78 NT5E (0.48) BCHEACHEGRIN1GRIN2AKDM4E
SCHEMBL19148959 0.75 ACHE (0.36) BCHEACHEMPOKDM4EBACE1
SCHEMBL19148211 0.68 NT5E (0.47) BCHEACHEGRIN1GRIN2ADHODH
SCHEMBL19148954 0.68 CCNE2 (0.41) DHODHKDM4EBACE1
SCHEMBL3291837 0.67 TDP1 (0.43) ACHEALDH1A1GAAKDM4EBACE1
SCHEMBL19148957 0.67 PDE3B (0.43) TDO2IDO2IDO1KDM4E
SCHEMBL31327764 0.66 MAPK1 (0.41) BCHEACHEGRIN1GRIN2ADHODH
SCHEMBL19148196 0.65 DHODH (0.42) ACHEDHODHGAAKDM4E

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-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-23 — — US disclosed
US-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 — — US disclosed
EP-3405458-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES Bayer CropScience Aktiengesellschaft (DE) 2018-11-28 — — EP disclosed
WO-2017125318-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-07-27 — — 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-20190023659-A1 PROCESS FOR THE PREPARATION OF POLYFLUOROALKYLATED QUINOLINES KCNQ1, KCNQ2, KCNQ4 BCHE 1352/4885ACHE 1281/4885GRIN1 1436/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 BCHE 1352/4885ACHE 1281/4885GRIN1 1436/4885

“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.

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