SCHEMBL19149239

SCHEMBL19149239

FC(c1cc(C(F)(F)F)nc2ccccc12)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.64
▸ ADORA1 P30542 1/20 0.64
▸ TLR7 Q9NYK1 2/20 0.49
▸ ADRB2 P07550 1/20 0.46
▸ NT5E P21589 3/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ IGF1R P08069 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ELANE P08246 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PKM P14618 1/20 0.37

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
SCHEMBL19150082 0.87 ADORA2A (0.68) ADORA2AADORA1TLR7ADRB2NT5E
SCHEMBL19148213 0.84 ADORA2A (0.64) ADORA2AADORA1TLR7ADRB2NT5E
SCHEMBL8229246 0.82 ADORA2A (0.66) ADORA2AADORA1TLR7ADRB2NT5E
SCHEMBL19150123 0.81 NT5E (0.48) ADORA2AADORA1TLR7ADRB2NT5E
SCHEMBL8441818 0.79 ADORA2A (0.71) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL7226777 0.78 ADORA2A (1.00) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL693661 0.78 NT5E (0.62) ADORA2AADORA1TLR7ADRB2NT5E
SCHEMBL5550207 0.77 ADORA2A (0.59) ADORA2AADORA1TLR7ADRB2NT5E
SCHEMBL28311336 0.74 ADORA2A (0.55) ADORA2AADORA1TLR7ADRB2NT5E
SCHEMBL3300391 0.74 BACE1 (0.66) ADORA2AADORA1TLR7ADRB2NT5E

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 ADORA2A 2373/4885ADORA1 3242/4885TLR7 356/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 ADORA2A 2373/4885ADORA1 3242/4885TLR7 356/4885

“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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