SCHEMBL2652740

SCHEMBL2652740

CC1(C)OB(c2ccc(F)c(-c3ccsc3C#N)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.38
LIPG Q9Y5X9 10/20 0.38
PGR P06401 1/20 0.36
ESR2 Q92731 1/20 0.34
EGFR P00533 1/20 0.33
ROCK1 Q13464 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL2648760 0.83 LPL (0.43) LPLLIPGPGRESR2EGFR
SCHEMBL2659371 0.79 LIPG (0.44) LPLLIPGPGRESR2
SCHEMBL2650626 0.77 LPL (0.41) LPLLIPGESR2EGFRROCK1
SCHEMBL4006930 0.77 LPL (0.40) LPLLIPGESR2EGFRROCK1
SCHEMBL20794283 0.77 LPL (0.40) LPLLIPGPGRESR2EGFR
SCHEMBL2658417 0.77 PGR (0.33) PGR
SCHEMBL2659727 0.76 LPL (0.46) LPLLIPGESR2EGFRROCK1
SCHEMBL6216928 0.75 LPL (0.38) LPLLIPGESR2EGFRROCK1
SCHEMBL6924366 0.74 EGFR (0.39) LPLLIPGESR2EGFRROCK1
SCHEMBL20904725 0.74 LPL (0.49) LPLLIPGEGFRROCK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 LPL 4750/4885LIPG 4868/4885PGR 2045/4885

“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.