SCHEMBL56476

SCHEMBL56476

CCn1ncc2c(N3C4CCC3COC4)nc(-c3ccc(N)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.56
PIK3CA P42336 18/20 0.56
PIK3CG P48736 1/20 0.44
MAPK14 Q16539 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL56078 0.87 MTOR (0.70) MTORPIK3CAHDAC3HDAC1HDAC2
SCHEMBL3661056 0.84 PIK3CA (0.68) MTORPIK3CA
SCHEMBL56903 0.83 MTOR (0.65) MTORPIK3CAHDAC3HDAC1HDAC2
SCHEMBL54875 0.82 MTOR (0.64) MTORPIK3CAHDAC3HDAC1HDAC2
SCHEMBL54011 0.82 PIK3CA (0.81) MTORPIK3CA
SCHEMBL53750 0.81 PIK3CA (0.71) MTORPIK3CA
SCHEMBL55160 0.81 PIK3CA (0.72) MTORPIK3CA
SCHEMBL54761 0.81 PIK3CA (0.72) MTORPIK3CA
SCHEMBL55538 0.81 PIK3CA (0.69) MTORPIK3CA
SCHEMBL54989 0.81 PIK3CA (0.69) 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 2/4885PIK3CG 6/4885

“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.