SCHEMBL24535571

SCHEMBL24535571

CCC(C)n1nc(-c2ccc3ocnc3c2)c2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 17/20 0.65
▸ ABL1 P00519 17/20 0.65
▸ SRC P12931 17/20 0.65
▸ PIK3CD O00329 16/20 0.65
▸ PIK3CA P42336 16/20 0.65
▸ PIK3CB P42338 16/20 0.65
▸ PIK3CG P48736 16/20 0.65
▸ HCK P08631 16/20 0.65
▸ EGFR P00533 15/20 0.65
▸ KDR P35968 15/20 0.65
▸ EPHB4 P54760 15/20 0.65
▸ PRKDC P78527 15/20 0.65
▸ PI4KB Q9UBF8 12/20 0.65
▸ RICTOR Q6R327 1/20 0.58
▸ RPTOR Q8N122 1/20 0.58
▸ PIK3C3 Q8NEB9 1/20 0.58
▸ MAPKAP1 Q9BPZ7 1/20 0.58
▸ MLST8 Q9BVC4 1/20 0.58
▸ BMPR1B O00238 1/20 0.57
▸ RIPK2 O43353 1/20 0.57

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
SCHEMBL19294557 0.89 MTOR (0.71) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL19299699 0.81 PIK3CD (0.62) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL15497301 0.76 MTOR (0.79) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL15497291 0.76 MTOR (0.79) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL7895680 0.76 MTOR (0.79) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL30353302 0.75 MTOR (0.54) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL16117324 0.75 BMPR1B (0.80) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL20112902 0.75 MTOR (0.74) MTORABL1SRCPIK3CDPIK3CA
SCHEMBL30405300 0.74 PIK3CD (0.56) MTORABL1SRCPIK3CDPIK3CA
Sapanisertib SCHEMBL7902875 0.73 MTOR (1.00) MTORABL1SRCPIK3CDPIK3CA

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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-23 — — 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-20220193242-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF CD74, CD2BP2, SERPINB1 MTOR 4486/4885ABL1 2123/4885SRC 1950/4885

“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.

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