SCHEMBL19924873

SCHEMBL19924873

CCOC(=O)c1nccnc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
BRD4 O60885 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
IDO1 P14902 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
JUN P05412 2/20 0.39
NFKB1 P19838 2/20 0.39

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
SCHEMBL30468618 1.00 MAPT (0.56) MAPTKDM4EALDH1A1HPGDHDAC4
SCHEMBL21843252 0.82 BRD4 (0.56) MAPTKDM4EALDH1A1BRD4L3MBTL1
SCHEMBL1451473 0.81 L3MBTL1 (0.44) MAPTKDM4EALDH1A1L3MBTL1NPSR1
SCHEMBL14398367 0.79 KDM4E (0.60) MAPTKDM4EALDH1A1BRD4L3MBTL1
SCHEMBL26081236 0.77 BRD4 (0.51) MAPTKDM4EALDH1A1BRD4L3MBTL1
SCHEMBL750492 0.77 BRD4 (0.51) MAPTKDM4EALDH1A1HPGDBRD4
SCHEMBL18137682 0.76 BRD4 (0.56) MAPTKDM4EALDH1A1HPGDHDAC4
SCHEMBL30785815 0.76 KDM4E (0.55) MAPTKDM4EALDH1A1HPGDHDAC6
SCHEMBL3662007 0.76 KDM4E (0.55) MAPTKDM4EALDH1A1HPGDHDAC6
SCHEMBL159285 0.75 BRD4 (0.50) MAPTKDM4EALDH1A1BRD4L3MBTL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651761-B Synthesis method of bixafen precursor 上海恩氟佳科技有限公司 2023-06-23 CN claimed
CN-113651761-A Synthesis method of bipyrazinyl bacteria amine precursor 上海恩氟佳科技有限公司 2021-11-16 CN claimed
CN-118908902-A Preparation method of 3-trifluoromethyl-2-pyrazinecarboxylic acid ester compound 山东京博农化科技股份有限公司 2024-11-08 CN disclosed
CN-113651761-B Synthesis method of bixafen precursor 上海恩氟佳科技有限公司 2023-06-23 CN disclosed
CN-113651761-B Synthesis method of bixafen precursor 上海恩氟佳科技有限公司 2023-06-23 CN disclosed
CN-113891744-A Pyridine and pyrazine derivatives for the treatment of CF, COPD and bronchiectasis 诺华股份有限公司 2022-01-04 CN disclosed
CN-113651761-A Synthesis method of bipyrazinyl bacteria amine precursor 上海恩氟佳科技有限公司 2021-11-16 CN disclosed
CN-113651761-A Synthesis method of bipyrazinyl bacteria amine precursor 上海恩氟佳科技有限公司 2021-11-16 CN disclosed
US-20190256477-A1 METHOD FOR THE PREPARATION OF 3-(TRIFLUOROMETHYL)PYRAZINE-2-CARBOXYLIC ACID ESTERS LONZA LTD (CH) 2019-08-22 US disclosed
EP-3472135-A1 METHOD FOR THE PREPARATION OF 3-(TRIFLUOROMETHYL)PYRAZINE-2-CARBOXYLIC ACID ESTERS Lonza Ltd (CH) 2019-04-24 EP disclosed
WO-2018041853-A1 METHOD FOR THE PREPARATION OF 3-(TRIFLUOROMETHYL)PYRAZINE-2-CARBOXYLIC ACID ESTERS LONZA LTD (CH) 2018-03-08 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 (1 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-20190256477-A1 METHOD FOR THE PREPARATION OF 3-(TRIFLUOROMETHYL)PYRAZINE-2-CARBOXYLIC ACID ESTERS CYP4F3, HCAR3, HCAR2 MAPT 4414/4885KDM4E 1424/4885ALDH1A1 932/4885

“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.