SCHEMBL2648431

SCHEMBL2648431

OB(O)c1ccc(F)c(-c2ccncn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.36
EGFR P00533 5/20 0.36
MAPK9 P45984 4/20 0.36
MAP4K4 O95819 3/20 0.36
FRK P42685 3/20 0.36
CSNK1A1 P48729 3/20 0.36
MAPK10 P53779 2/20 0.35
MAPK14 Q16539 2/20 0.35
CCNT1 O60563 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
CCNA1 P78396 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
PRKACA P17612 2/20 0.33
MINK1 Q8N4C8 2/20 0.33
DCLK1 O15075 1/20 0.33
PRKD3 O94806 1/20 0.33
FLT3 P36888 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
SCHEMBL2651143 0.79 KDM4E (0.41) CASP6
SCHEMBL25184191 0.78 MAPK9 (0.47) CASP6EGFRMAPK9MAP4K4FRK
SCHEMBL2649875 0.77 PARP1 (0.39) MAPK14
SCHEMBL2652252 0.76 GABRG2 (0.40) EGFR
SCHEMBL2649340 0.76 EGFR (0.38) CASP6EGFRMAPK9MAP4K4FRK
SCHEMBL2650530 0.76 MAP4K4 (0.43) CASP6EGFRMAPK9MAP4K4FRK
SCHEMBL2666033 0.76 NUDT1 (0.41)
SCHEMBL1444789 0.74 EGFR (0.42) CASP6EGFRMAPK9MAP4K4FRK
SCHEMBL17693879 0.73 CYP2D6 (0.47) EGFRMAPK9MAP4K4FRKCSNK1A1
SCHEMBL2651020 0.72 CASP6 (0.37) CASP6EGFRHDAC4

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 8 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
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-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
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-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 CASP6 4269/4885EGFR 2633/4885MAPK9 4334/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 CASP6 4209/4885EGFR 2144/4885MAPK9 3995/4885

“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.