SCHEMBL3579839

SCHEMBL3579839

O=C1Cn2nc(-c3ccccc3)nc2-c2cc(Cl)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
NTSR1 P30989 1/20 0.52
OPRK1 P41145 1/20 0.52
PDE4D Q08499 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 3/20 0.51
POLB P06746 3/20 0.51
RAB9A P51151 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43

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
SCHEMBL3575489 0.89 NPC1 (0.49) CNR1NTSR1OPRK1PDE4DSMN1; SMN2
SCHEMBL3568671 0.83 PLK1 (0.41) CNR1NTSR1OPRK1PDE4DSMN1; SMN2
SCHEMBL3564162 0.82 CNR1 (0.42) CNR1NTSR1OPRK1PDE4DGABRP
SCHEMBL2822931 0.78 CNR1 (0.39) CNR1NTSR1OPRK1PDE4DTP53
SCHEMBL11262735 0.77 NPC1 (0.71) SMN1; SMN2NPC1TP53POLBRAB9A
SCHEMBL2823564 0.75 GABRG2 (0.41) CNR1NTSR1OPRK1PDE4DTP53
SCHEMBL11241607 0.74 NPC1 (0.71) SMN1; SMN2NPC1TP53POLBRAB9A
SCHEMBL9259458 0.73 GABRG2 (0.49) CNR1NTSR1OPRK1PDE4DGABRP
SCHEMBL3872594 0.70 SMN1; SMN2 (0.48) CNR1OPRK1PDE4DSMN1; SMN2NPC1
SCHEMBL3872242 0.70 GABRG2 (0.60) SMN1; SMN2NPC1TP53POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2006045429-A1 HALOGEN SUBSTITUTED 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
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 (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-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives GABRA3, GABRA1, OXER1 CNR1 6/4885NTSR1 294/4885OPRK1 121/4885
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA1, GABRA4, GABRA5 CNR1 74/4885NTSR1 790/4885OPRK1 135/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A CNR1 53/4885NTSR1 716/4885OPRK1 184/4885

“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.