SCHEMBL19149165

SCHEMBL19149165

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.48
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ BCHE P06276 5/20 0.35
▸ ACHE P22303 5/20 0.35
▸ GRIN1 Q05586 5/20 0.35
▸ GRIN2A Q12879 5/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CLK2 P49760 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
SCHEMBL19148211 0.88 NT5E (0.47) NT5EADORA2AADORA1BCHEACHE
SCHEMBL19150123 0.85 NT5E (0.48) NT5EADORA2AADORA1TLR7KDM4E
SCHEMBL19148213 0.81 ADORA2A (0.64) NT5EADORA2AADORA1TLR7MAPT
SCHEMBL1536339 0.79 NT5E (0.70) NT5EADORA2AADORA1BCHEACHE
SCHEMBL19150095 0.78 BCHE (0.37) BCHEACHEGRIN1GRIN2AKDM4E
SCHEMBL19148212 0.75 ADORA2A (0.46) NT5EADORA2AADORA1ACHETLR7
SCHEMBL3823152 0.74 NT5E (0.49) NT5EBCHEACHEGRIN1GRIN2A
SCHEMBL4420000 0.74 NT5E (0.49) NT5EADORA2AADORA1KDM4EMAPT
SCHEMBL19584232 0.74 NT5E (0.49) NT5EADORA2AADORA1BCHEACHE
SCHEMBL25110227 0.71 NT5E (0.49) NT5ETLR7KDM4EMAPTADRB2

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 NT5E 1186/4885ADORA2A 2373/4885ADORA1 3242/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 NT5E 1186/4885ADORA2A 2373/4885ADORA1 3242/4885

“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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