SCHEMBL3568671

SCHEMBL3568671

COc1ccc(-c2nc3n(n2)CC(=O)Nc2ccc(Cl)cc2-3)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
YAP1 P46937 1/20 0.41
TDP2 O95551 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.38
GRM7 Q14831 1/20 0.38
MDM2 Q00987 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38

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 0.83 NPC1 (0.49) SMN1; SMN2TP53NPC1RAB9APOLB
SCHEMBL3579839 0.83 CNR1 (0.52) SMN1; SMN2TP53NPC1RAB9APOLB
SCHEMBL3564162 0.79 CNR1 (0.42) KMT2ALMNAPDE4DCNR1NTSR1
SCHEMBL2823564 0.77 GABRG2 (0.41) PLK1TP53KMT2AMDM2MAPT
SCHEMBL2822931 0.73 CNR1 (0.39) TP53KMT2AMAPTTSHRLMNA
SCHEMBL5188935 0.71 GABRG2 (0.51)
SCHEMBL3915663 0.70 GABRG2 (0.47) GRM7
SCHEMBL3574483 0.69 GABRG2 (0.65)
SCHEMBL9259458 0.68 GABRG2 (0.49) KMT2ALMNAPDE4DCNR1NTSR1
SCHEMBL8807582 0.66 CNR1 (0.44) KMT2ALMNABRD4PDE4DCNR1

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-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
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
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 (2 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 PLK1 4464/4885SMN1; SMN2 1999/4885TP53 3753/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A PLK1 3495/4885SMN1; SMN2 1295/4885TP53 3586/4885

“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.