SCHEMBL630795

SCHEMBL630795

O=C(O)c1nccnc1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
ASPH Q12797 2/20 0.42
KDM8 Q8N371 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
NAPRT Q6XQN6 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MYC P01106 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
SCHEMBL30575282 1.00 KDM4E (0.42) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL13697273 0.81 PDE3B (0.35) ALDH1A1
SCHEMBL15145687 0.81 ADORA3 (0.36) ALDH1A1TSHRKMT2A
SCHEMBL12548240 0.78 KDM4E (0.41) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL28285903 0.76 YTHDC1 (0.33) KDM4EMAPTALDH1A1NPSR1L3MBTL1
SCHEMBL69939 0.75 KDM4E (0.54) KDM4EASPHKDM8MAPTALDH1A1
Water SCHEMBL335807 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL6345905 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL29113117 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1
Hydrochloric Acid SCHEMBL9356765 0.73 KDM4E (0.52) KDM4EASPHKDM8MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245680-A Process for producing 5- (difluoromethyl) pyrazine-2-carboxylic acid and production intermediate thereof EISAI R&D MAN CO LTD 2014-12-24 CN claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
CN-109641854-A Integration stress access regulator 卡里科生命科学有限责任公司 2019-04-16 CN disclosed
CN-104245680-A Process for producing 5- (difluoromethyl) pyrazine-2-carboxylic acid and production intermediate thereof EISAI R&D MAN CO LTD 2014-12-24 CN disclosed
EP-2665716-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2013-11-27 EP disclosed
WO-2012100179-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO disclosed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP disclosed
US-8168638-B2 Pyrazinecarboxamide derivatives and plant disease controlling agents containing the same NIHON NOHYAKU CO., LTD. (JP) 2012-05-01 US disclosed
EP-1963286-B1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME NIHON NOHYAKU CO LTD (JP) 2012-02-22 EP disclosed
CN-101341136-B Pyrazinecarboxamide derivatives and plant disease controlling agents containing the same NIHON NOHYAKU CO LTD 2011-07-06 CN disclosed
US-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same NIHON NOHYAKU CO., LTD. (JP) 2009-09-17 US disclosed
CN-101341136-A Pyrazinecarboxamide derivatives and plant disease controlling agents containing the same NIHON NOHYAKU CO LTD (JP) 2009-01-07 CN disclosed
EP-1963286-A1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME Nihon Nohyaku Co., Ltd. (JP) 2008-09-03 EP disclosed
WO-2007072999-A1 PYRAZINECARBOXAMIDE DERIVATIVES AND PLANT DISEASE CONTROLLING AGENTS CONTAINING THE SAME NIHON NOHYAKU CO., LTD (JP) 2007-06-28 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-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same CBR3, CNPY2, AADAC KDM4E 3250/4885ASPH 2410/4885KDM8 3098/4885

“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.