SCHEMBL6040307

SCHEMBL6040307

OCCOc1nn2c(-c3ccccc3)nnc2cc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 14/20 0.68
GABRG2 P18507 14/20 0.68
GABRB3 P28472 14/20 0.68
GABRA3 P34903 14/20 0.68
GABRA2 P47869 11/20 0.68
GABRA5 P31644 6/20 0.50
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
BRD4 O60885 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
CREBBP Q92793 1/20 0.44
HTR6 P50406 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL6040543 0.94 GABRA1 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6991412 0.83 GABRG2 (0.64) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL340896 0.83 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6040758 0.82 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL340810 0.81 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL342428 0.81 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL341650 0.80 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5799755 0.80 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL341811 0.80 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL342855 0.79 GABRA1 (0.79) GABRA1GABRG2GABRB3GABRA3GABRA2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960584-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2005-11-01 US claimed
US-20040116432-A1 Inhibitors of akt activity MERCK SHARP & DOHME LTD. (GB) 2004-06-17 US claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
WO-2002083675-A2 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 2002-10-24 WO claimed
US-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
US-6960584-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2005-11-01 US disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040116432-A1 Inhibitors of akt activity MERCK SHARP & DOHME LTD. (GB) 2004-06-17 US disclosed
US-20040106540-A1 Method of treating cancer BARNETT STANLEY F (US) 2004-06-03 US disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
WO-2002083675-A2 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LIMITED (GB) 2002-10-24 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 (3 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-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 GABRA1 4513/4885GABRG2 4280/4885GABRB3 4320/4885
US-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 GABRA1 4046/4885GABRG2 3417/4885GABRB3 2919/4885
US-20040106540-A1 Method of treating cancer PACSIN2, CTTN, PLK1 GABRA1 4046/4885GABRG2 3403/4885GABRB3 2981/4885

“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.