SCHEMBL10131245

SCHEMBL10131245

CC(C)C#Cc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.43
PIK3CA P42336 15/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
ADK P55263 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
SCHEMBL10163364 0.82 MTOR (0.43) MTORPIK3CA
SCHEMBL15384097 0.80 EGLN1 (0.39)
SCHEMBL15119361 0.78 CYP1A2 (0.53) MTORPIK3CA
SCHEMBL10162703 0.78 NOS3 (0.46) MTORPIK3CANOS3NOS2ADK
SCHEMBL888963 0.77 EGLN1 (0.38)
SCHEMBL14850538 0.77 MTOR (0.40) MTORPIK3CANOS3NOS2ADK
SCHEMBL19775310 0.75 MTOR (0.44) MTORPIK3CANOS3NOS2ADK
SCHEMBL503292 0.74 MTOR (0.44) MTORPIK3CANOS3NOS2ADK
SCHEMBL29571687 0.74 MTOR (0.44) MTORPIK3CANOS3NOS2ADK
SCHEMBL17616434 0.74 GRM5 (0.51) MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 MTOR 920/4885PIK3CA 345/4885NOS3 1409/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MTOR 920/4885PIK3CA 345/4885NOS3 1409/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MTOR 920/4885PIK3CA 345/4885NOS3 1409/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MTOR 920/4885PIK3CA 345/4885NOS3 1409/4885

“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.