SCHEMBL23150495

SCHEMBL23150495

Nc1nc2cc(-c3nn(CC4CCN(C(=O)O)C4)c4ncnc(N)c34)ccc2o1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 17/20 0.72
▸ PIK3CD O00329 6/20 0.72
▸ PIK3CG P48736 6/20 0.72
▸ PIK3CA P42336 5/20 0.72
▸ PIK3CB P42338 4/20 0.72
▸ PRKDC P78527 3/20 0.72
▸ DDR1 Q08345 3/20 0.72
▸ HDAC1 Q13547 10/20 0.72
▸ ABL1 P00519 2/20 0.68
▸ HDAC8 Q9BY41 3/20 0.67
▸ HDAC6 Q9UBN7 3/20 0.67
▸ PIK3R2 O00459 1/20 0.58
▸ CHEK2 O96017 1/20 0.58
▸ HDAC3 O15379 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ TGFBR1 P36897 1/20 0.55
▸ BTK Q06187 2/20 0.54

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
SCHEMBL23150458 0.95 MTOR (0.77) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL23150481 0.93 MTOR (0.74) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL31046978 0.89 TGFBR1 (0.72) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL20553170 0.89 TGFBR1 (0.72) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30405170 0.89 TGFBR1 (0.72) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30404824 0.87 MTOR (0.65) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL23157723 0.86 MTOR (0.68) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL20552950 0.85 TGFBR1 (0.71) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL31046967 0.85 TGFBR1 (0.71) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL30405677 0.85 TGFBR1 (0.71) MTORPIK3CDPIK3CGPIK3CAPIK3CB

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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 — — 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-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CD 117/4885PIK3CG 195/4885

“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.

Send feedback