SCHEMBL53311

SCHEMBL53311

Cn1ncc2c(N3CC4COC(C3)O4)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
KMT2A Q03164 4/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL55448 0.84 PIK3CA (0.53) PDE2APIK3CAMTORHRH1HRH4
SCHEMBL55406 0.80 MTOR (0.53) PIK3CAMTOR
SCHEMBL24955621 0.79 PDE2A (0.46) PDE2APIK3CAMTORHRH1HRH4
SCHEMBL31106958 0.79 PDE2A (0.46) PDE2APIK3CAMTORHRH1HRH4
SCHEMBL55439 0.73 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL12264967 0.72 KMT2A (0.62) PDE2APIK3CAHRH1HRH4KMT2A
SCHEMBL2192881 0.72 HRH1 (0.66) PDE2AHRH1HRH4KMT2AGAA
SCHEMBL55865 0.70 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL30202116 0.69 PDE2A (0.46) PDE2AHRH1HRH4KMT2AGAA
SCHEMBL24956785 0.69 PDE2A (0.46) PDE2AHRH1HRH4KMT2AGAA

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 2 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
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 PDE2A 1484/4885PIK3CA 2/4885MTOR 1/4885

“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.