SCHEMBL56730

SCHEMBL56730

O=C(CCCO)Nc1ccc(-c2nc(N3C4CCC3COC4)c3cnn(CCF)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.62
PIK3CA P42336 16/20 0.62
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45

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
SCHEMBL55351 0.91 PIK3CA (0.63) MTORPIK3CA
SCHEMBL56174 0.91 MTOR (0.60) MTORPIK3CAHDAC3HDAC1HDAC2
SCHEMBL56493 0.91 PIK3CA (0.76) MTORPIK3CA
SCHEMBL55944 0.84 PIK3CA (0.70) MTORPIK3CA
SCHEMBL3661056 0.79 PIK3CA (0.68) MTORPIK3CA
SCHEMBL3652124 0.78 PIK3CA (0.83) MTORPIK3CA
SCHEMBL55162 0.77 MTOR (0.62) MTORPIK3CA
SCHEMBL54011 0.77 PIK3CA (0.81) MTORPIK3CA
SCHEMBL55337 0.77 PIK3CA (0.80) MTORPIK3CA
SCHEMBL56248 0.77 PIK3CA (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885HDAC3 1305/4885

“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.