SCHEMBL55718

SCHEMBL55718

CCn1ncc2c(N3C4CCC3COC4)nc(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.44
MTOR P42345 10/20 0.44
LRRK2 Q5S007 4/20 0.39
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
PDE4B Q07343 3/20 0.34
CNR2 P34972 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL17510910 0.82 MTOR (0.45) PIK3CAMTORLRRK2JAK2JAK1
SCHEMBL19822683 0.82 MTOR (0.45) PIK3CAMTORLRRK2JAK2JAK1
SCHEMBL24955619 0.81 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL31106974 0.81 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL56476 0.79 MTOR (0.56) PIK3CAMTORADORA3ADORA2AADORA1
SCHEMBL3987772 0.76 SRC (0.50) PIK3CAMTORCNR2
SCHEMBL55050 0.76 MTOR (0.56) PIK3CAMTOR
SCHEMBL3661056 0.74 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL54011 0.72 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL55090 0.72 PIK3CA (0.65) 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 1/4885LRRK2 694/4885

“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.