SCHEMBL2054763

SCHEMBL2054763

COc1nc(C(F)(F)F)cc(C)c1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 6/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
HSD17B10 Q99714 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPK1 P28482 3/20 0.33
IGF1R P08069 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CFTR P13569 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HIF1A Q16665 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2097253 0.86 POLB (0.45) POLBALDH1A1MAPTHPGDMEN1
SCHEMBL3546719 0.85 POLB (0.63) POLBALDH1A1MAPTHPGDMEN1
SCHEMBL2097324 0.85 POLB (0.44) POLBALDH1A1MAPTHPGDMEN1
SCHEMBL31697158 0.77 IGF1R (0.40) POLBALDH1A1MAPTHSD17B10MAPK1
SCHEMBL3543826 0.77 IGF1R (0.40) POLBALDH1A1MAPTHSD17B10MAPK1
SCHEMBL31697063 0.76 IGF1R (0.40) POLBALDH1A1MAPTMAPK1IGF1R
SCHEMBL22208699 0.76 IGF1R (0.40) POLBALDH1A1MAPTMAPK1IGF1R
SCHEMBL3544064 0.72 CYP3A4 (0.45) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL30586203 0.71 ALDH1A1 (0.61) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL6217742 0.71 ALDH1A1 (0.61) POLBALDH1A1MAPTMEN1KMT2A

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
EP-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP disclosed
EP-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
EP-1960360-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2008-08-27 EP disclosed
EP-1899294-A1 THERAPEUTIC AGENTS Merck Sharp & Dohme Limited (GB) 2008-03-19 EP disclosed
WO-2007060484-A1 AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2007-05-31 WO disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 WO disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 POLB 4418/4885ALDH1A1 652/4885MAPT 624/4885
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors GRIA1, GLRA1, GRIN1 POLB 4846/4885ALDH1A1 579/4885MAPT 1250/4885

“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.