SCHEMBL2653317

SCHEMBL2653317

N#Cc1cc(F)cc(F)c1-c1cc(N)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA2 P47869 1/20 0.41
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
MAP4K4 O95819 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BRD4 O60885 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
SCHEMBL2651159 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL2652017 0.81 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA2CYP11B1
SCHEMBL2650000 0.79 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL2660110 0.78 CYP11B1 (0.43) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL2652631 0.76 CYP11B1 (0.39) KDM4EMAP4K4LMNAMEN1CYP3A4
SCHEMBL27947385 0.76 KDM4E (0.37) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL2648034 0.75 GABRA1 (0.42) GABRA1GABRG2GABRB3KDM4EALDH1A1
SCHEMBL2652449 0.75 KDM1A (0.38) GABRA1GABRG2GABRB3GABRA2ALDH1A1
SCHEMBL2653023 0.75 VCAM1 (0.47) GABRA1GABRG2GABRB3GABRA2ALDH1A1
SCHEMBL2651126 0.73 ALOX5AP (0.44) GABRA1GABRG2GABRB3GABRA2KDM4E

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 5 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
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-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 (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.