SCHEMBL6201330

SCHEMBL6201330

O=Cc1ccc(-c2cccc(-c3cnc4nc(C(F)(F)F)cnn34)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 15/20 0.48
GABRG2 P18507 15/20 0.48
GABRB3 P28472 15/20 0.48
GABRA2 P47869 10/20 0.48
GABRA3 P34903 11/20 0.45
GABRA5 P31644 9/20 0.45
DYRK1A Q13627 2/20 0.41
DYRK2 Q92630 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
DYRK3 O43781 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KIF11 P52732 1/20 0.38
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6200597 0.85 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200896 0.84 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200819 0.83 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202804 0.83 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200443 0.83 SYK (0.48) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202270 0.82 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200814 0.81 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202421 0.81 GABRG2 (0.60) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL5259251 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6199891 0.80 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA2GABRA3

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 6 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 claimed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US claimed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US claimed
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
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US 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-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 GABRA1 3/4885GABRG2 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.