SCHEMBL2649340

SCHEMBL2649340

Fc1ccc(Br)cc1-c1ccncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
MAPK9 P45984 3/20 0.38
MAP4K4 O95819 2/20 0.38
FRK P42685 2/20 0.38
CSNK1A1 P48729 2/20 0.38
POLB P06746 1/20 0.38
CDK9 P50750 3/20 0.37
CDK5 Q00535 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MAPK10 P53779 2/20 0.37
MAPK14 Q16539 2/20 0.37
GSK3A P49840 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
CASP6 P55212 1/20 0.36
AMY1A P0DUB6 1/20 0.35
DCLK1 O15075 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKACA P17612 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL25184191 0.82 MAPK9 (0.47) EGFRMAPK9MAP4K4FRKCSNK1A1
SCHEMBL2650530 0.79 MAP4K4 (0.43) EGFRMAPK9MAP4K4FRKCSNK1A1
SCHEMBL1444789 0.78 EGFR (0.42) EGFRMAPK9MAP4K4FRKCSNK1A1
SCHEMBL2649276 0.77 KDM4E (0.45) POLBMEN1MAPTHPGDKMT2A
SCHEMBL2652043 0.76 ALOX5AP (0.42) POLBCASP6AMY1AMEN1MAPT
SCHEMBL2648431 0.76 CASP6 (0.36) EGFRMAPK9MAP4K4FRKCSNK1A1
SCHEMBL30141958 0.74 NPC1 (0.46) EGFRMAPK9MAP4K4FRKCSNK1A1
SCHEMBL2650141 0.74 IMPDH2 (0.49) POLBMAPK14MAPTSMN1; SMN2
SCHEMBL28296072 0.74 NPC1 (0.46) EGFRMAPK9MAP4K4FRKCSNK1A1
SCHEMBL2653973 0.74 GABRG2 (0.43) MEN1MAPTHPGDKMT2ASMN1; SMN2

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 EGFR 2633/4885MAPK9 4334/4885MAP4K4 1292/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 EGFR 2144/4885MAPK9 3995/4885MAP4K4 2241/4885

“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.