SCHEMBL16583121

SCHEMBL16583121

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL15360322 0.92 LMNA (0.43) POLBKDM4ELMNAKMT2AL3MBTL1
SCHEMBL16583134 0.87 MAPK1 (0.44) MAPK1KDM4ELMNAKMT2AL3MBTL1
SCHEMBL15352008 0.85 ALDH1A1 (0.39) POLBKDM4ELMNAKMT2AL3MBTL1
SCHEMBL17583150 0.81 POLB (0.39) MAPK1POLBKDM4ELMNAKMT2A
SCHEMBL20290536 0.80 SIRT6 (0.41) MAPK1POLBKDM4EKMT2AGAA
SCHEMBL15352113 0.80 LMNA (0.43) POLBKDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL30185861 0.78 KDM4E (0.39) MAPK1POLBKDM4ELMNAKMT2A
SCHEMBL14330661 0.78 KDM4E (0.39) MAPK1POLBKDM4ELMNAKMT2A
SCHEMBL992080 0.77 MAPK1 (0.50) MAPK1KDM4ELMNAKMT2AL3MBTL1
SCHEMBL16590728 0.75 LMNA (0.43) POLBKDM4ELMNAKMT2AL3MBTL1

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 3767/4885POLB 1608/4885KDM4E 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.