SCHEMBL23150460

SCHEMBL23150460

Nc1ncnc2c1c(I)nn2Cc1ccc(CNC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.45
▸ PIK3CG P48736 2/20 0.43
▸ PIK3CD O00329 3/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ JAK2 O60674 3/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ RET P07949 3/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ INSR P06213 1/20 0.40

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
SCHEMBL21528125 0.87 PIK3CG (0.40) BTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL31186246 0.84 BTK (0.42) BTKPIK3CGPIK3CDPIK3CAPRKDC
SCHEMBL21528214 0.84 BTK (0.42) BTKPIK3CGPIK3CDPIK3CAPRKDC
SCHEMBL30405276 0.82 BTK (0.39) BTKPIK3CGPIK3CDMTORHDAC1
SCHEMBL16701486 0.80 BTK (0.47) BTKPIK3CGPIK3CDHDAC1JAK2
SCHEMBL29172463 0.80 BTK (0.43) BTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL25678064 0.79 PIK3CG (0.48) BTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL17596825 0.77 HDAC1 (0.46) BTKMTORHDAC1JAK2JAK3
SCHEMBL23150470 0.75 MTOR (0.76) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL19731411 0.75 BTK (0.60) BTKPIK3CGPIK3CDPIK3CAPIK3CB

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
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 — — CN disclosed
CN-112771054-A C40-, C28-and C-32-linked rapamycin analogs as mTOR inhibitors 锐新医药公司 2021-05-07 — — CN disclosed
US-20210094975-A1 RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. 2021-04-01 — — US disclosed
CN-112368289-A C26-linked rapamycin analogs as MTOR inhibitors 锐新医药公司 2021-02-12 — — CN disclosed
CN-110770243-A Rapamycin analogs as MTOR inhibitors 锐新医药公司 2020-02-07 — — CN 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 BTK 298/4885PIK3CG 195/4885PIK3CD 117/4885

“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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