SCHEMBL19149164

SCHEMBL19149164

FC(F)c1cc(C(F)(F)F)nc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.44
▸ NT5E P21589 4/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ GMNN O75496 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40

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
SCHEMBL19148219 0.89 ADORA2A (0.42) IGF1RNT5EADORA2AADORA1NPC1
SCHEMBL19150076 0.86 NT5E (0.54) NT5EADORA2AADORA1LMNATP53
SCHEMBL19148196 0.84 DHODH (0.42) NPC1RAB9ASCN5AGMNNUSP2
SCHEMBL2855628 0.81 NT5E (0.60) IGF1RNT5ENPC1RAB9ASCN5A
SCHEMBL2854016 0.79 IGF1R (0.48) IGF1RNT5EADORA2AADORA1NPC1
SCHEMBL19148211 0.79 NT5E (0.47) NT5EADORA2AADORA1TP53SMN1; SMN2
SCHEMBL16832212 0.76 DHODH (0.56) IGF1RNT5ELMNATP53CYP1A2
SCHEMBL19150082 0.75 ADORA2A (0.68) IGF1RNT5EADORA2AADORA1GAA
SCHEMBL19148559 0.74 ADORA2A (0.42) NT5EADORA2AADORA1SMN1; SMN2TLR7
SCHEMBL19148578 0.74 NT5E (0.48) NT5EADORA2AADORA1NPC1RAB9A

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 5 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
CN-108473433-A The method for preparing the quinoline of Polyfluoroalkyl 拜耳作物科学股份公司 2018-08-31 — — CN 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 IGF1R 4658/4885NT5E 1186/4885ADORA2A 2373/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 IGF1R 4658/4885NT5E 1186/4885ADORA2A 2373/4885

“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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