SCHEMBL21310799

SCHEMBL21310799

CN1CC=C(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.48
▸ TLR8 Q9NR97 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 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
SCHEMBL22725504 0.85 QDPR (0.44) QDPRCNR2
SCHEMBL21311076 0.81 HTR1D (0.41) TLR8CNR2HTR1DNUDT1BACE1
SCHEMBL21311103 0.78 CNR2 (0.34) TLR8CNR2NUDT1BACE1KDM4E
SCHEMBL21311004 0.78 CNR2 (0.35) CNR2BACE1
SCHEMBL22725488 0.77 CNR2 (0.33) TLR8CNR2NUDT1BACE1KDM4E
SCHEMBL21311084 0.75 EGFR (0.50) TLR8CNR2NUDT1BACE1KDM4E
SCHEMBL21310819 0.75 TLR8 (0.58) TLR8CNR2NUDT1BACE1KDM4E
SCHEMBL6420487 0.74 KDM4E (0.50) TLR8CNR2NUDT1BACE1KDM4E
SCHEMBL21310800 0.73 EGFR (0.51) QDPRTLR8CNR2NUDT1BACE1
SCHEMBL6271298 0.72 RPS6KA5 (0.45) TLR8CNR2NUDT1BACE1KDM4E

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 QDPR 2292/4885TLR8 3372/4885CNR2 1261/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 QDPR 1871/4885TLR8 3379/4885CNR2 1574/4885

“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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