SCHEMBL55426

SCHEMBL55426

Oc1ccc(Nc2nc(N3CC4CCC(C3)O4)c3sccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.68
PIK3CA P42336 15/20 0.68
SOS2 Q07890 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAD52 P43351 1/20 0.44
IRAK4 Q9NWZ3 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
SCHEMBL55958 0.81 MTOR (1.00) MTORPIK3CA
SCHEMBL55781 0.75 MTOR (0.63) MTORPIK3CA
Hydrochloric Acid SCHEMBL56427 0.74 MTOR (0.62) MTORPIK3CA
SCHEMBL55723 0.73 PIK3CA (1.00) MTORPIK3CA
SCHEMBL53786 0.72 MTOR (1.00) MTORPIK3CA
SCHEMBL55907 0.71 MTOR (1.00) MTORPIK3CA
SCHEMBL54578 0.71 MTOR (1.00) MTORPIK3CA
SCHEMBL61012 0.71 SYK (0.45) SOS2LMNAGAAMAPTRAD52
SCHEMBL55148 0.70 MTOR (1.00) MTORPIK3CA
SCHEMBL3659896 0.70 MTOR (0.76) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP claimed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO claimed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US claimed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD MTOR 1/4885PIK3CA 2/4885SOS2 1104/4885

“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.