SCHEMBL19148554

SCHEMBL19148554

Fc1cccc2c(C(F)F)cc(C(F)(F)F)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.42
ADORA2A P29274 7/20 0.42
ADORA1 P30542 6/20 0.42
CYP3A4 P08684 4/20 0.42
ADORA3 P0DMS8 2/20 0.42
CYP2D6 P10635 2/20 0.42
ADORA2B P29275 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
TSHR P16473 1/20 0.42
CNR1 P21554 1/20 0.42
GLRA1 P23415 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL7232860 0.80 ADORA2A (0.69) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL19149168 0.80 TNKS (0.43) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL19148214 0.79 KCNH2 (0.36) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL2711028 0.79 NT5E (0.49) ADORA2AADORA1CYP3A4CYP2C19KDM4E
SCHEMBL19148561 0.79 ADORA2A (0.39) ADORA2AADORA1CYP2D6KDM4ELMNA
SCHEMBL2709776 0.78 PRKD3 (0.40) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL6354888 0.78 KDM4E (0.38) ADORA2AADORA1KDM4EPRKD3MAP4K4
SCHEMBL19150082 0.76 ADORA2A (0.68) ADORA2AADORA1KDM4ENT5ETLR7
SCHEMBL7227499 0.76 ADORA2A (0.49) KCNH2ADORA2AADORA1CYP3A4ADORA3
SCHEMBL19584236 0.74 NT5E (0.36) KCNH2ADORA2AADORA1CYP3A4ADORA3

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 KCNH2 26/4885ADORA2A 2373/4885ADORA1 3242/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 KCNH2 26/4885ADORA2A 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.