SCHEMBL4171200

SCHEMBL4171200

COC(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
LPL P06858 4/20 0.33
LIPG Q9Y5X9 4/20 0.33
SNCA P37840 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FFAR1 O14842 1/20 0.31
DGAT1 O75907 2/20 0.31
ALPL P05186 1/20 0.30
F11 P03951 1/20 0.30

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
SCHEMBL31651716 0.88 AAK1 (0.36) AAK1LPLLIPGSNCACA1
SCHEMBL112806 0.88 AAK1 (0.36) AAK1LPLLIPGSNCACA1
SCHEMBL29990311 0.84 AAK1 (0.38) AAK1LPLLIPGSNCACA1
SCHEMBL2067468 0.84 AAK1 (0.38) AAK1LPLLIPGSNCACA1
SCHEMBL182869 0.83 SNCA (0.42) AAK1LPLLIPGSNCACA1
SCHEMBL29487604 0.83 SNCA (0.42) AAK1LPLLIPGSNCACA1
SCHEMBL2066745 0.80 AAK1 (0.36) AAK1LPLLIPGSNCACA1
SCHEMBL16052301 0.80 LPL (0.40) AAK1LPLLIPGCA1CA2
SCHEMBL12373176 0.77 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL29857828 0.77 INPPL1 (0.36) AAK1LPLLIPGCA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD AAK1 440/4885LPL 4388/4885LIPG 4645/4885

“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.