SCHEMBL2651020

SCHEMBL2651020

OB(O)c1ccc(F)c(-c2cccnn2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.37
GABRG2 P18507 7/20 0.35
GABRB3 P28472 7/20 0.35
GABRA5 P31644 7/20 0.35
GABRA3 P34903 7/20 0.35
GABRA1 P14867 6/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FAAH O00519 1/20 0.33
HDAC4 P56524 1/20 0.32
EGFR P00533 1/20 0.32
ACLY P53396 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ENPP2 Q13822 1/20 0.31
MGLL Q99685 1/20 0.31
CYP11B2 P19099 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
SCHEMBL2651143 0.79 KDM4E (0.41) CASP6CA1CA2
SCHEMBL30226663 0.77 ACLY (0.40) CASP6GABRG2GABRB3GABRA5GABRA3
SCHEMBL2650808 0.76 GABRA5 (0.38) CASP6GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652079 0.76 BRD4 (0.40) CASP6GABRG2GABRB3GABRA5GABRA3
SCHEMBL2651339 0.73 ERN1 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2649292 0.73 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL28413348 0.73 CA2 (0.47) CA1CA2HDAC4ENPP2MGLL
SCHEMBL34461976 0.72 GABRG2 (0.47) CASP6GABRG2GABRB3GABRA5GABRA3
SCHEMBL28211033 0.72 GABRG2 (0.47) CASP6GABRG2GABRB3GABRA5GABRA3
SCHEMBL2648431 0.72 CASP6 (0.36) CASP6HDAC4EGFR

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-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP 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-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
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
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 (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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 CASP6 3416/4885GABRG2 15/4885GABRB3 8/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 CASP6 4269/4885GABRG2 14/4885GABRB3 9/4885

“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.