SCHEMBL19150086

SCHEMBL19150086

FC(F)c1cc(C(F)F)c2ccc(Cl)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ NR4A2 P43354 3/20 0.41
▸ ACHE P22303 4/20 0.37
▸ BCHE P06276 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ SOS2 Q07890 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MPO P05164 1/20 0.36
▸ APEX1 P27695 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL19148959 0.82 ACHE (0.36) ACHEBCHEKMT2AMPOAAK1
SCHEMBL19150089 0.78 KDM4E (0.39) EPHX2ESR1AAK1F7F3
SCHEMBL3291837 0.78 TDP1 (0.43) POLBACHECHRM1KMT2AALDH1A1
SCHEMBL19148203 0.77 APP (0.44) —
SCHEMBL19148598 0.77 KDM4E (0.41) POLBACHEKMT2AMPOALDH1A1
SCHEMBL19149253 0.74 NPC1 (0.38) AAK1DYRK1A
SCHEMBL31327764 0.73 MAPK1 (0.41) NR4A2ACHEBCHEESR1ESR2
SCHEMBL19150073 0.71 DHODH (0.37) ACHEBCHEMPOALDH1A1
SCHEMBL19148204 0.70 MAOA (0.38) POLBACHECHRM1KMT2AALDH1A1
SCHEMBL19148974 0.70 PPARA (0.38) KMT2AALDH1A1MEN1

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 POLB 605/4885NR4A2 3467/4885ACHE 1281/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 POLB 605/4885NR4A2 3467/4885ACHE 1281/4885

“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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