SCHEMBL55448

SCHEMBL55448

Cn1ncc2c(N3CC4CCC(C3)O4)nc(Cl)nc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.53
MTOR P42345 13/20 0.53
PDE2A O00408 4/20 0.46
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL53311 0.84 PDE2A (0.41) PIK3CAMTORPDE2AHRH1HRH4
SCHEMBL55050 0.84 MTOR (0.56) PIK3CAMTOR
SCHEMBL56612 0.83 PIK3CA (0.46) PIK3CAMTOR
SCHEMBL54228 0.82 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL24955621 0.82 PDE2A (0.46) PIK3CAMTORPDE2AHRH1HRH4
SCHEMBL31106958 0.82 PDE2A (0.46) PIK3CAMTORPDE2AHRH1HRH4
SCHEMBL55511 0.79 MTOR (0.43) PIK3CAMTORKMT2A
SCHEMBL54984 0.79 PIK3CA (0.44) PIK3CAMTOR
SCHEMBL55848 0.78 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL55549 0.78 PIK3CA (0.45) PIK3CAMTOR

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 1/4885PDE2A 1484/4885

“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.