Sugi Predict

Sugi Predict / Compounds / SCHEMBL3569245

SCHEMBL3569245

SCHEMBL3569245

O=C1Cn2ncnc2-c2cc(Br)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GABRA5 P31644 9/20 0.48
▸ GABRG2 P18507 7/20 0.48
▸ GABRB3 P28472 7/20 0.48
▸ GABRA1 P14867 6/20 0.48
▸ GABRA3 P34903 6/20 0.48
▸ GABRA2 P47869 6/20 0.48
▸ ADRA1A P35348 1/20 0.43
▸ CCNB2 O95067 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CDK5 Q00535 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ GABRB2 P47870 2/20 0.41
▸ BRD4 O60885 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
SCHEMBL9262960 0.85 GABRG2 (0.48) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL3568502 0.84 CA9 (0.37) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL9259458 0.84 GABRG2 (0.49) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL3569576 0.84 GABRG2 (0.48) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL9266623 0.80 GABRG2 (0.44) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL3573042 0.78 GABRG2 (0.53) GABRA5GABRG2GABRB3CES1LRRK2
SCHEMBL3569558 0.77 KMT2A (0.56) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL8802795 0.74 KMT2A (0.54) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL2828152 0.71 GABRA1 (0.55) KMT2AMEN1GABRA5GABRG2GABRB3
SCHEMBL7271469 0.70 KMT2A (1.00) KMT2AMEN1GABRA5GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805184-B1 IMIDAZO-BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-01-09 — — EP disclosed
US-8293730-B2 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 — — US disclosed
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES KNUST HENNER 2010-03-25 — — US disclosed
US-7671048-B2 Substituted imidazo [1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-02 — — US disclosed
US-7514426-B2 Substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-04-07 — — US disclosed
US-7507728-B2 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 — — US disclosed
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 — — EP disclosed
EP-1809297-A1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-07-25 — — EP disclosed
EP-1807432-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-18 — — EP disclosed
EP-1805184-A1 IMIDAZO-BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 — — EP disclosed
WO-2006045429-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 — — WO disclosed
WO-2006045430-A1 IMIDAZO-BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 — — WO disclosed
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 — — US disclosed
US-20060084642-A1 gamma-aminobutyric acid GABA receptors inverse agonists ; Alzheimer's disease, cognition enhancers; 10-methyl-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. 2006-04-20 — — US disclosed
WO-2006040038-A1 IMIDAZO [1, 5-A]TRIAZOLO[1, 5-D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 — — WO disclosed
US-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-04-13 — — 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 (4 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-20060084642-A1 gamma-aminobutyric acid GABA receptors inverse agonists ; Alzheimer's disease, cognition enhancers; 10-methyl-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine GABRA3, GABRA1, GABRA4 KMT2A 1604/4885MEN1 4489/4885GABRA5 6/4885
US-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives GABRA3, GABRA1, OXER1 KMT2A 904/4885MEN1 3823/4885GABRA5 16/4885
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA1, GABRA4, GABRA5 KMT2A 1762/4885MEN1 2911/4885GABRA5 3/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A KMT2A 1766/4885MEN1 2474/4885GABRA5 2/4885

“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.