SCHEMBL3551339

SCHEMBL3551339

COC[C@H]1COCCN1c1nc(C=O)cs1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.37
PDK1 Q15118 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PIK3CA P42336 7/20 0.34
PIK3CD O00329 7/20 0.34
PIK3CG P48736 7/20 0.34
PIK3CB P42338 4/20 0.34
IDH1 O75874 1/20 0.33
MAPT P10636 1/20 0.32
MDM2 Q00987 1/20 0.31
ADORA2A P29274 4/20 0.31
ADORA1 P30542 4/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 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
SCHEMBL3545517 0.83 PDK1 (0.39) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL28003161 0.82 MTOR (0.41) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL13634284 0.81 PDK1 (0.40) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL13634272 0.81 PDK1 (0.40) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL3435910 0.81 PDK1 (0.38) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL13634351 0.81 PDK1 (0.38) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL13162772 0.77 MTOR (0.40) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL13162767 0.77 MTOR (0.40) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL3435190 0.77 MTOR (0.36) MTORPDK1PDK2PDK3PIK3CA
SCHEMBL14000051 0.77 GAA (0.42) MAPTALDH1A1GAA

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MTOR 1596/4885PDK1 1088/4885PDK2 1250/4885

“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.