SCHEMBL22880763

SCHEMBL22880763

Cc1ccc(CC(C)c2ncncc2C(C)C)nc1C(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL19919593 0.72 ESR1 (0.37) ESR1ESR2
SCHEMBL4546362 0.72 P2RX3 (0.36) —
SCHEMBL21041367 0.71 P2RX3 (0.33) —
SCHEMBL29324345 0.67 P2RX3 (0.34) —
SCHEMBL15431066 0.67 GCGR (0.33) —
SCHEMBL25484221 0.66 SORD (0.30) —
SCHEMBL19122500 0.65 GCGR (0.35) —
SCHEMBL2742981 0.65 CYP11B1 (0.35) —
SCHEMBL18595099 0.65 TSHR (0.38) —
SCHEMBL25463387 0.65 TSHR (0.38) —

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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 — — 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-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ESR1 3463/4885ESR2 3885/4885

“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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