SCHEMBL2651849

SCHEMBL2651849

OB(O)c1ccc(F)c(-c2ccnnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
ENPP2 Q13822 2/20 0.33
STING1 Q86WV6 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC4 P56524 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
SCN9A Q15858 1/20 0.31
PDGFRB P09619 1/20 0.31
KDR P35968 1/20 0.31
WNT3A P56704 1/20 0.31
KAT6A Q92794 1/20 0.31
EGFR P00533 1/20 0.31
MGLL Q99685 1/20 0.31
ACLY P53396 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
SCHEMBL2649875 0.83 PARP1 (0.39) ENPP2GABRA1GABRG2GABRB3GABRA5
SCHEMBL2651339 0.79 ERN1 (0.48) CYP11B2GABRA1GABRG2GABRB3GABRA5
SCHEMBL2651805 0.76 MAP4K4 (0.44) CYP11B2STING1HDAC4GABRA1GABRG2
SCHEMBL8358833 0.76 NISCH (0.45) CYP11B2
SCHEMBL2653234 0.76 STING1 (0.38) CYP11B2STING1HDAC4GABRA1GABRG2
SCHEMBL18519105 0.75 MGLL (0.52) ENPP2CA1CA2MGLL
SCHEMBL2666033 0.75 NUDT1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28413326 0.74 CA2 (0.50) ENPP2CA1CA2HDAC4WNT3A
SCHEMBL2651020 0.71 CASP6 (0.37) CYP11B2ENPP2CA1CA2HDAC4
SCHEMBL27821400 0.71 HDAC4 (0.44) HDAC4GABRG2GABRB3GABRA5GABRA3

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 CYP11B2 952/4885ENPP2 4586/4885STING1 3266/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 CYP11B2 374/4885ENPP2 4626/4885STING1 3533/4885

“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.