SCHEMBL30181730

SCHEMBL30181730

COc1ncc(-c2cc(N3CC(F)C3)c3nccn3n2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.34
▸ SYK P43405 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ RAF1 P04049 11/20 0.32
▸ BRAF P15056 11/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ QPCT Q16769 1/20 0.32

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
SCHEMBL23993989 0.94 MTOR (0.34) MTORSYKPIK3CDABL1EGFR
SCHEMBL30181454 0.94 MTOR (0.34) MTORSYKPIK3CDABL1EGFR
SCHEMBL30181550 0.94 MTOR (0.34) MTORSYKPIK3CDABL1EGFR
SCHEMBL23994806 0.94 MTOR (0.34) MTORSYKPIK3CDABL1EGFR
SCHEMBL23993991 0.93 SMPD3 (0.36) MTORSYKPIK3CDABL1EGFR
SCHEMBL23994140 0.91 RAF1 (0.35) MTORSYKABL1MDM2RAF1
SCHEMBL23993191 0.91 CYP1A2 (0.34) MTORSYKPIK3CDABL1EGFR
SCHEMBL30224514 0.90 RAF1 (0.36) MTORSYKPIK3CDABL1EGFR
SCHEMBL23995170 0.90 RAF1 (0.36) MTORSYKPIK3CDABL1EGFR
SCHEMBL25005189 0.90 MDM2 (0.34) MTORSYKPIK3CDABL1EGFR

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-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E MTOR 1667/4885SYK 2578/4885PIK3CD 401/4885

“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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