SCHEMBL17315789

SCHEMBL17315789

CCOC(=O)C(F)(F)c1ncc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ AGBL2 Q5U5Z8 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ POLB P06746 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ACSS2 Q9NR19 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
SCHEMBL17315815 0.88 KDM4E (0.38) KDM4EMAPTPOLBL3MBTL1SMN1; SMN2
SCHEMBL17315802 0.86 S1PR1 (0.41) KDM4EMAPTHTTL3MBTL1ALDH1A1
SCHEMBL17315810 0.86 L3MBTL1 (0.46) KDM4EAGBL2POLBL3MBTL1SMN1; SMN2
SCHEMBL17622561 0.86 KDM4E (0.39) KDM4EPOLBL3MBTL1SMN1; SMN2JMJD6
SCHEMBL161012 0.80 MAPT (0.40) KDM4EAGBL2MAPTHTTPOLB
SCHEMBL20406660 0.78 CYP3A4 (0.40) KDM4EAGBL2MAPTPOLBL3MBTL1
SCHEMBL21032477 0.77 MAPK1 (0.41) KDM4EPOLBL3MBTL1SMN1; SMN2MAPK1
SCHEMBL14932583 0.75 L3MBTL1 (0.41) KDM4EMAPTHTTL3MBTL1SMN1; SMN2
SCHEMBL15999650 0.75 L3MBTL1 (0.41) KDM4EMAPTHTTPOLBL3MBTL1
SCHEMBL161047 0.75 MAPT (0.42) MAPTHTTPOLBL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152213-B1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2018-10-31 — — EP disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
EP-3152213-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS Rugen Holdings (Cayman) Limited (KY) 2017-04-12 — — EP disclosed
WO-2015187845-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2015-12-10 — — WO disclosed
WO-2015187845-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2015-12-10 — — 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-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B KDM4E 1429/4885AGBL2 4420/4885MAPT 2386/4885
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B KDM4E 1429/4885AGBL2 4420/4885MAPT 2386/4885

“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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