SCHEMBL2659042

SCHEMBL2659042

Cn1cnc(COc2nc3c(cc2C(C)(C)C)nnn3-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA5 P31644 2/20 0.39
GABRA2 P47869 2/20 0.39
GSK3A P49840 7/20 0.37
GSK3B P49841 7/20 0.37
AURKA O14965 4/20 0.35
PIM1 P11309 2/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ATM Q13315 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL2658746 0.82 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657618 0.80 GABRG2 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659863 0.77 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659476 0.77 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL341244 0.69 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659044 0.69 GSK3A (0.34) GSK3AGSK3BAURKAPIM1
SCHEMBL25003929 0.69 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2658591 0.69 GABRG2 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657963 0.69 GABRG2 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2659486 0.68 GABRG2 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA5

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
US-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-04-17 US claimed
EP-1087968-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-04-04 EP claimed
WO-1999065904-A1 TRIAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-12-23 WO claimed
US-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-04-17 US disclosed
US-6479506-B1 USEFUL IN THE THERAPY OF DELETERIOUS MENTAL STATES SUCH AS ANXIETY MERCK SHARP & DOHME LTD. (GB) 2002-11-12 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-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors GABRA3, GABRA4, GABRA5 GABRA1 7/4885GABRG2 17/4885GABRB3 5/4885

“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.