Sugi Predict

Sugi Predict / Compounds / SCHEMBL6202357

SCHEMBL6202357

SCHEMBL6202357

Cn1nnc(-c2cccc(-c3cnc4nc(C(F)(F)F)cnn34)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 14/20 0.44
▸ GABRG2 P18507 14/20 0.44
▸ GABRB3 P28472 14/20 0.44
▸ GABRA2 P47869 10/20 0.44
▸ GABRA3 P34903 10/20 0.43
▸ GABRA5 P31644 9/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ DYRK1A Q13627 2/20 0.35
▸ DYRK2 Q92630 2/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK5 Q00535 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
SCHEMBL6203075 0.85 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200745 0.84 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200541 0.83 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201582 0.81 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200896 0.78 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6198921 0.77 FYN (0.51) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201966 0.77 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL5262983 0.77 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202841 0.77 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6199220 0.77 GABRG2 (0.48) 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.