SCHEMBL21310986

SCHEMBL21310986

CC(C)(O)Cn1c(N)nc2cc(C3CCCOC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.55
▸ TLR7 Q9NYK1 1/20 0.36
▸ BACE1 P56817 4/20 0.36
▸ CNR2 P34972 2/20 0.35

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
SCHEMBL21310754 0.94 EGFR (0.48) EGFRTLR7CNR2
SCHEMBL21310985 0.87 EGFR (0.42) EGFRTLR7CNR2
SCHEMBL21310800 0.81 EGFR (0.51) EGFRTLR7BACE1CNR2
SCHEMBL21310753 0.81 EGFR (0.39) EGFRTLR7BACE1CNR2
SCHEMBL21311035 0.80 EGFR (0.52) EGFRTLR7CNR2
SCHEMBL21310817 0.76 EGFR (0.56) EGFRBACE1CNR2
SCHEMBL21310751 0.76 EGFR (0.48) EGFRCNR2
SCHEMBL21311051 0.76 EGFR (0.44) EGFRTLR7CNR2
SCHEMBL21310756 0.75 PDE4B (0.49) EGFRCNR2
SCHEMBL6420487 0.73 KDM4E (0.50) TLR7BACE1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 — — US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 — — US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 — — 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 (2 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885TLR7 4378/4885BACE1 3711/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885TLR7 4241/4885BACE1 3748/4885

“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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