SCHEMBL18613724

SCHEMBL18613724

CC(C)n1nc(-c2ccc3oc(NCCO)nc3c2)c2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.69
PIK3CA P42336 17/20 0.69
PIK3CD O00329 16/20 0.69
PIK3CB P42338 16/20 0.69
PIK3CG P48736 16/20 0.69
RICTOR Q6R327 2/20 0.69
RPTOR Q8N122 2/20 0.69
MAPKAP1 Q9BPZ7 2/20 0.69
MLST8 Q9BVC4 2/20 0.69
PIK3C3 Q8NEB9 1/20 0.69
BMPR1B O00238 1/20 0.68
RIPK2 O43353 1/20 0.68
STK16 O75716 1/20 0.68
STK10 O94804 1/20 0.68
MAP4K4 O95819 1/20 0.68
RET P07949 1/20 0.68
PDGFRB P09619 1/20 0.68
FGFR1 P11362 1/20 0.68
PRKCA P17252 1/20 0.68
DCK P27707 1/20 0.68

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
SCHEMBL18613714 0.88 MTOR (0.63) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19299482 0.87 MTOR (0.77) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL7903524 0.84 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16127231 0.83 MTOR (0.75) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Sapanisertib SCHEMBL7902875 0.82 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CBPIK3CG
Sapanisertib SCHEMBL29351459 0.82 MTOR (1.00) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16117323 0.81 BMPR1B (1.00) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL18613966 0.81 RET (0.64) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL8012348 0.79 SRC (0.56) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL27113591 0.79 MTOR (0.73) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683308-B2 Rapamycin analogs and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-10683308-B2 Rapamycin analogs and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20190031683-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-20190031683-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
WO-2017044720-A1 RAPAMYCIN ANALOGS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2017-03-16 WO 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 (2 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-20190031683-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR MTOR 2/4885PIK3CA 35/4885PIK3CD 123/4885
US-10683308-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR MTOR 2/4885PIK3CA 35/4885PIK3CD 123/4885

“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.