Sapanisertib

Sapanisertib

SCHEMBL7895668

[2H]C([2H])([2H])C([2H])(n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21)C([2H])([2H])[2H]

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MTOR

The experimentally established mechanism targets of Sapanisertib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR known ✓ P42345 19/20 0.77
PIK3CA P42336 16/20 0.77
PIK3CD O00329 11/20 0.77
PIK3CG P48736 11/20 0.77
PIK3CB P42338 10/20 0.77
RICTOR Q6R327 8/20 0.77
RPTOR Q8N122 8/20 0.77
MAPKAP1 Q9BPZ7 8/20 0.77
MLST8 Q9BVC4 8/20 0.77
PIK3C3 Q8NEB9 1/20 0.77
DDR1 Q08345 4/20 0.64
BMPR1B O00238 1/20 0.64
RIPK2 O43353 1/20 0.64
STK16 O75716 1/20 0.64
STK10 O94804 1/20 0.64
MAP4K4 O95819 1/20 0.64
RET P07949 1/20 0.64
PDGFRB P09619 1/20 0.64
FGFR1 P11362 1/20 0.64
PRKCA P17252 1/20 0.64

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
Sapanisertib SCHEMBL7902875 0.87 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
Sapanisertib SCHEMBL29351459 0.87 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16546279 0.85 MTOR (0.84) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7895680 0.83 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15497301 0.83 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15497291 0.83 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL19299722 0.82 MTOR (0.74) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL7901532 0.80 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL20112902 0.80 MTOR (0.74) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL24314111 0.79 MTOR (0.69) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2014-01-30 US disclosed
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE LLC (US) 2013-08-15 US disclosed
US-8476282-B2 Benzoxazole kinase inhibitors and methods of use INTELLIKINE LLC (US) 2013-07-02 US disclosed
US-8450329-B2 2013-05-28 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20100184760-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-22 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 (4 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-20100184760-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 MTOR 2/4885PIK3CA 4/4885PIK3CD 13/4885
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR MTOR 2/4885PIK3CA 21/4885PIK3CD 58/4885
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 MTOR 2/4885PIK3CA 4/4885PIK3CD 13/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 MTOR 1/4885PIK3CA 6/4885PIK3CD 24/4885

“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.