SCHEMBL20141981

SCHEMBL20141981

Cc1nn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ncnc(N)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 3/20 0.60
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ P2RX3 P56373 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ P2RX2 Q9UBL9 1/20 0.51
▸ ATG7 O95352 7/20 0.50
▸ SRC P12931 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ YES1 P07947 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ GAPDH P04406 2/20 0.44
▸ EGFR P00533 1/20 0.44

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
SCHEMBL20141608 0.91 MEN1 (0.54) HRASMEN1USP2POLBKMT2A
SCHEMBL22758827 0.90 MEN1 (0.54) HRASMEN1USP2POLBKMT2A
SCHEMBL20142633 0.90 ATG7 (0.53) HRASMEN1USP2POLBKMT2A
SCHEMBL20141958 0.90 ATG7 (0.53) HRASMEN1USP2POLBKMT2A
SCHEMBL22778899 0.90 SRC (0.54) HRASMEN1USP2POLBKMT2A
SCHEMBL20141646 0.88 ATG7 (0.53) HRASMEN1USP2POLBKMT2A
SCHEMBL20142000 0.88 MEN1 (0.49) HRASMEN1USP2POLBKMT2A
SCHEMBL20141777 0.87 MTOR (0.52) HRASMEN1USP2POLBKMT2A
SCHEMBL20142549 0.87 ATG7 (0.54) HRASMEN1USP2POLBKMT2A
SCHEMBL20141743 0.86 ATG7 (0.60) HRASMEN1USP2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865208-B2 ATG7 inhibitors and the uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-12-15 — — US disclosed
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 — — 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 (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-10865208-B2 ATG7 inhibitors and the uses thereof ATG7, BECN1, SQSTM1 HRAS 25/4885MEN1 2795/4885USP2 1076/4885

“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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