SCHEMBL56646

SCHEMBL56646

CC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCCCO4)c3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.64
MTOR P42345 20/20 0.64
PIK3CD O00329 1/20 0.62
PIK3R1 P27986 1/20 0.62
SMG1 Q96Q15 1/20 0.62

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
SCHEMBL4993573 0.88 MTOR (0.66) PIK3CAMTOR
SCHEMBL55209 0.86 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL55338 0.86 MTOR (0.53) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL54784 0.82 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL4996765 0.80 MTOR (0.61) PIK3CAMTOR
SCHEMBL3985713 0.80 MTOR (0.75) PIK3CAMTORPIK3CD
SCHEMBL61406 0.79 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL3653840 0.78 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL55429 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL55015 0.78 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1SMG1

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 PIK3CA 2/4885MTOR 1/4885PIK3CD 3/4885

“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.