SCHEMBL2648752

SCHEMBL2648752

CC1(C)OB(c2ccc(F)c(-c3ccncc3)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.47
LIPG Q9Y5X9 10/20 0.47
EGFR P00533 1/20 0.39
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
ROCK1 Q13464 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
F11 P03951 1/20 0.35
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
SNCA P37840 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
SCHEMBL28470742 0.85 LIPG (0.60) LPLLIPGEGFRPDGFRBKDR
SCHEMBL20904948 0.85 LIPG (0.68) LPLLIPGEGFRPDGFRBKDR
SCHEMBL31401337 0.85 LIPG (0.45) LPLLIPGPDGFRBKDRROCK1
SCHEMBL2649267 0.85 LIPG (0.45) LPLLIPGPDGFRBKDRROCK1
SCHEMBL20615766 0.84 LPL (0.43) LPLLIPGEGFRPDGFRBKDR
SCHEMBL2651616 0.83 LPL (0.42) LPLLIPGEGFRPDGFRBKDR
SCHEMBL6218782 0.82 LPL (0.48) LPLLIPGEGFRPDGFRBKDR
SCHEMBL2659676 0.81 EGFR (0.41) LPLLIPGEGFRPDGFRBKDR
SCHEMBL20905062 0.78 LIPG (0.50) LPLLIPGEGFRPDGFRBKDR
SCHEMBL19203261 0.78 LIPG (0.57) LPLLIPGPDGFRBKDRF11

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-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6960598-B2 (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. 2005-11-01 US disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074772-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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 (3 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 LPL 4750/4885LIPG 4868/4885EGFR 1972/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 LPL 4840/4885LIPG 4869/4885EGFR 2633/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 LPL 3649/4885LIPG 4342/4885EGFR 2144/4885

“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.