SCHEMBL17315810

SCHEMBL17315810

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ AGBL2 Q5U5Z8 1/20 0.43
▸ POLB P06746 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 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
SCHEMBL20708140 0.86 L3MBTL1 (0.44) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17315815 0.86 KDM4E (0.38) L3MBTL1ALDH1A1HPGDPOLBGAA
SCHEMBL17315789 0.86 KDM4E (0.38) L3MBTL1ALDH1A1KMT2AAGBL2POLB
SCHEMBL14932582 0.85 L3MBTL1 (0.57) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17315802 0.83 S1PR1 (0.41) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17622561 0.83 KDM4E (0.39) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17315809 0.77 AGBL2 (0.44) ALDH1A1HPGDMEN1KMT2AAGBL2
SCHEMBL20406660 0.75 CYP3A4 (0.40) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL21032477 0.74 MAPK1 (0.41) L3MBTL1ALDH1A1HPGDKMT2APOLB
SCHEMBL17315771 0.74 GAA (0.54) L3MBTL1ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 — — US disclosed
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 — — US disclosed
EP-3194403-B1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2019-02-06 — — EP disclosed
EP-3152213-B1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2018-10-31 — — EP disclosed
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-10-25 — — 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-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 — — US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 — — US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 — — 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
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 — — US 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 (6 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 L3MBTL1 3260/4885ALDH1A1 1530/4885HPGD 2154/4885
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B L3MBTL1 3820/4885ALDH1A1 1595/4885HPGD 1197/4885
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B L3MBTL1 3820/4885ALDH1A1 1595/4885HPGD 1197/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B L3MBTL1 3820/4885ALDH1A1 1595/4885HPGD 1197/4885
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B L3MBTL1 3260/4885ALDH1A1 1530/4885HPGD 2154/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B L3MBTL1 3820/4885ALDH1A1 1595/4885HPGD 1197/4885

“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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