SCHEMBL82026

SCHEMBL82026

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.40
MTOR P42345 10/20 0.40
PIK3CA P42336 9/20 0.39
PAK1 Q13153 4/20 0.36
BTK Q06187 1/20 0.36
PDGFRB P09619 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
SCHEMBL83679 0.92 MTOR (0.41) MAPK1MTORPIK3CAPAK1BTK
SCHEMBL82027 0.77 SYK (0.37) MAPK1MTORPIK3CA
SCHEMBL5017318 0.72 PIK3CA (0.48) MTORPIK3CA
SCHEMBL55757 0.71 MTOR (0.40) MTORPIK3CA
SCHEMBL61800 0.71 MTOR (0.40) MAPK1MTORPIK3CAPAK1
SCHEMBL56588 0.70 PIK3CA (0.62) MTORPIK3CA
SCHEMBL84228 0.70 NAMPT (0.35) MAPK1MTORBTK
SCHEMBL81783 0.69 CSF1R (0.40) MAPK1BTK
SCHEMBL83680 0.69 SYK (0.38) MAPK1MTOR
SCHEMBL54766 0.67 PIK3CA (0.68) 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 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 MAPK1 179/4885MTOR 1/4885PIK3CA 2/4885

“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.