SCHEMBL5375808

SCHEMBL5375808

CCCc1nn(C)c2c(-c3ccc(O)c(C)c3)nc(-c3ccc(OC)c(O)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.39
PIK3CD O00329 2/20 0.38
ABL1 P00519 2/20 0.38
EGFR P00533 2/20 0.38
HCK P08631 2/20 0.38
SRC P12931 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
EPHB4 P54760 2/20 0.38
PRKDC P78527 2/20 0.38
PI4KB Q9UBF8 2/20 0.38
PDE5A O76074 6/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TERT O14746 1/20 0.37
PDE6C P51160 1/20 0.37
DCK P27707 1/20 0.37
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL5355834 0.95 TDP2 (0.40) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL5330123 0.85 PDE5A (0.47) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL5413892 0.84 PDE5A (0.46) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL6103493 0.84 PDE5A (0.39) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL5371349 0.83 MTOR (0.40) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL5355823 0.78 PDE5A (0.41) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL5335286 0.77 PDE5A (0.44) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL5369656 0.74 PDE5A (0.38) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL5365552 0.69 GAK (0.42) MTORPDE5AHDAC6HDAC1HDAC2
SCHEMBL6101530 0.67 ABCG2 (0.43) MTORPDE5AHDAC6HDAC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP claimed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO claimed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US claimed
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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 (1 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG MTOR 1227/4885PIK3CD 3068/4885ABL1 4618/4885

“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.