SCHEMBL20657442

SCHEMBL20657442

C/C(=N\c1ccccc1F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 5/20 0.33
NPC1 O15118 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 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
SCHEMBL19149184 1.00 CA1 (0.35) CA1CA2CA4CA9MAPT
SCHEMBL20657451 0.83 POLB (0.33) SMN1; SMN2ALDH1A1ACHEGAA
SCHEMBL19148971 0.83 POLB (0.33) SMN1; SMN2ALDH1A1ACHEGAA
SCHEMBL20657617 0.76 SIGMAR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL20657507 0.76 NOS3 (0.50) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL19148206 0.76 SIGMAR1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL20657401 0.76 NOS3 (0.47) CA1CA2CA4CA9MAPT
SCHEMBL20657399 0.76 NOS3 (0.47) CA1CA2CA4CA9MAPT
SCHEMBL19149167 0.76 NOS3 (0.50) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL20657618 0.72 NOS1 (0.54) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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 2 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

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 CA1 4274/4885CA2 4402/4885CA4 1971/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 CA1 4274/4885CA2 4402/4885CA4 1971/4885

“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.