SCHEMBL16583134

SCHEMBL16583134

COC(=O)c1cnc(C(F)(F)C(=O)OC)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
CYP2C19 P33261 3/20 0.40
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LCK P06239 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35

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
SCHEMBL15360321 0.87 KDM4E (0.41) MAPK1CYP2C19KDM4EL3MBTL1MEN1
SCHEMBL16583121 0.87 MAPK1 (0.39) MAPK1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL992080 0.83 MAPK1 (0.50) MAPK1CYP2C19KDM4EL3MBTL1LCK
SCHEMBL12775521 0.80 MAPK1 (0.49) MAPK1CYP2C19KDM4EL3MBTL1LCK
SCHEMBL68869 0.78 MAPK1 (0.63) MAPK1CYP2C19KDM4EL3MBTL1LCK
SCHEMBL15360322 0.77 LMNA (0.43) KDM4EL3MBTL1MEN1KMT2AGABRP
SCHEMBL27991313 0.75 CYP2C19 (0.35) CYP2C19KDM4EL3MBTL1MEN1KMT2A
SCHEMBL27991315 0.74 AGBL2 (0.36) CYP2C19KDM4EL3MBTL1MEN1KMT2A
SCHEMBL25153997 0.73 LCK (0.39) MAPK1CYP2C19KDM4ELCKGABRP
SCHEMBL15352008 0.72 ALDH1A1 (0.39) KDM4EL3MBTL1MEN1KMT2AGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841423-B1 METHOD FOR PRODUCING 5-(DIFLUOROMETHYL)PYRAZINE-2-CARBOXILIC ACID AND PRODUCTION INTERMEDIATE THEREOF EISAI R&D MAN CO LTD (JP) 2016-11-30 EP disclosed
US-9227942-B2 Method for producing 5-(difluoromethyl)pyrazine-2-carboxylic acid and production intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-01-05 US disclosed
US-20150087836-A1 METHOD FOR PRODUCING 5-(DIFLUOROMETHYL)PYRAZINE-2-CARBOXILIC ACID AND PRODUCTION INTERMEDIATE THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-03-26 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 (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-20150087836-A1 METHOD FOR PRODUCING 5-(DIFLUOROMETHYL)PYRAZINE-2-CARBOXILIC ACID AND PRODUCTION INTERMEDIATE THEREOF BACE1, BACE2, APP MAPK1 3767/4885CYP2C19 722/4885KDM4E 660/4885

“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.