SCHEMBL19150076

SCHEMBL19150076

COc1ccc2nc(C(F)(F)F)cc(C(F)F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.54
▸ ABCC8 Q09428 1/20 0.45
▸ KCNJ11 Q14654 1/20 0.45
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL19148578 0.89 NT5E (0.48) NT5EABCC8KCNJ11MEN1KMT2A
SCHEMBL19149164 0.86 IGF1R (0.44) NT5EKDM4EADORA2AADORA1HSD17B10
SCHEMBL15488469 0.82 NT5E (0.57) NT5EABCC8KCNJ11MEN1KMT2A
SCHEMBL25245924 0.81 NT5E (0.58) NT5EABCC8KCNJ11MEN1KMT2A
SCHEMBL2709780 0.81 NT5E (0.60) NT5EABCC8KCNJ11MEN1KMT2A
SCHEMBL19148973 0.81 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL30460713 0.81 NT5E (0.58) NT5EABCC8KCNJ11MEN1KMT2A
SCHEMBL2710723 0.79 NT5E (0.57) NT5EABCC8KCNJ11MEN1KMT2A
SCHEMBL26406959 0.79 NT5E (0.57) NT5EABCC8KCNJ11MEN1KMT2A
SCHEMBL19148211 0.79 NT5E (0.47) NT5EMEN1KMT2AKDM4EADORA2A

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 NT5E 1186/4885ABCC8 2968/4885KCNJ11 165/4885
US-10266494-B2 Process for the preparation of polyfluoroalkylated quinolines KCNQ1, KCNQ2, KCNQ4 NT5E 1186/4885ABCC8 2968/4885KCNJ11 165/4885

“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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