SCHEMBL3564437

SCHEMBL3564437

O=c1[nH]c2ccc(OC(F)(F)F)cc2c2ncnn12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.61
MET P08581 2/20 0.61
CHEK1 O14757 1/20 0.61
AURKA O14965 1/20 0.61
DAPK3 O43293 1/20 0.61
JAK2 O60674 1/20 0.61
MAP4K4 O95819 1/20 0.61
ABL1 P00519 1/20 0.61
NTRK1 P04629 1/20 0.61
LCK P06239 1/20 0.61
CSF1R P07333 1/20 0.61
RET P07949 1/20 0.61
PDGFRB P09619 1/20 0.61
PIM1 P11309 1/20 0.61
FGFR1 P11362 1/20 0.61
PDGFRA P16234 1/20 0.61
PRKACA P17612 1/20 0.61
FLT1 P17948 1/20 0.61
LTK P29376 1/20 0.61
KDR P35968 1/20 0.61

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
SCHEMBL8821175 0.81 CHEK1 (0.65) CDK9METCHEK1AURKADAPK3
SCHEMBL8821154 0.79 CHEK1 (0.60) CDK9METCHEK1AURKADAPK3
SCHEMBL463661 0.78 HAVCR2 (0.62) KDM4ECRHBPCRHR2DDR1HAVCR2
SCHEMBL8860392 0.77 GSK3A (0.72) CDK9METCHEK1AURKADAPK3
SCHEMBL8821144 0.76 CHEK1 (0.70) CDK9METCHEK1AURKADAPK3
SCHEMBL3570573 0.76 JAK2 (0.70) CDK9METCHEK1AURKADAPK3
SCHEMBL404434 0.76 CHEK1 (1.00) CDK9METCHEK1AURKADAPK3
SCHEMBL8821127 0.73 GSK3A (0.65) CDK9METCHEK1AURKADAPK3
SCHEMBL8821183 0.73 CHEK1 (0.65) CDK9METCHEK1AURKADAPK3
SCHEMBL8821146 0.73 GSK3B (0.65) CDK9METCHEK1AURKADAPK3

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 7 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
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
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 (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 CDK9 2673/4885MET 630/4885CHEK1 3758/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A CDK9 1548/4885MET 2835/4885CHEK1 4466/4885

“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.