SCHEMBL83679

SCHEMBL83679

O=C(O)N(c1ccccc1)c1nc(N2CC3CCC(C2)O3)c2cn[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.41
PIK3CA P42336 12/20 0.40
MAPK1 P28482 4/20 0.40
PAK1 Q13153 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL82026 0.92 MAPK1 (0.40) MTORPIK3CAMAPK1PAK1BTK
SCHEMBL83680 0.77 SYK (0.38) MTORMAPK1
SCHEMBL5017318 0.73 PIK3CA (0.48) MTORPIK3CA
SCHEMBL61800 0.72 MTOR (0.40) MTORPIK3CAMAPK1PAK1
SCHEMBL55757 0.72 MTOR (0.40) MTORPIK3CA
SCHEMBL56588 0.71 PIK3CA (0.62) MTORPIK3CA
SCHEMBL84228 0.71 NAMPT (0.35) MTORMAPK1BTK
SCHEMBL54766 0.69 PIK3CA (0.68) MTORPIK3CA
SCHEMBL82027 0.68 SYK (0.37) MTORPIK3CAMAPK1
SCHEMBL79935 0.68 CSF1R (0.39) MAPK1

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 MTOR 1/4885PIK3CA 2/4885MAPK1 179/4885

“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.