SCHEMBL21311076

SCHEMBL21311076

CC(C)(O)Cn1c(N)nc2cc(C3=CCOCC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.37
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ BACE1 P56817 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ MAPK14 Q16539 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
SCHEMBL21311103 0.85 CNR2 (0.34) CNR2BACE1PIK3CAALOX5APTLR8
SCHEMBL22725488 0.81 CNR2 (0.33) CNR2BACE1PIK3CAALOX5APTLR8
SCHEMBL21310799 0.81 QDPR (0.48) HTR1DCNR2BACE1TLR8NUDT1
SCHEMBL21310893 0.77 CNR2 (0.33) CNR2BACE1PIK3CAALOX5APTLR8
SCHEMBL6420487 0.74 KDM4E (0.50) CNR2BACE1TLR8NUDT1KDM4E
SCHEMBL6415050 0.73 AAK1 (0.52) AAK1
SCHEMBL6271298 0.72 RPS6KA5 (0.45) CNR2BACE1PIK3CATLR8NUDT1
SCHEMBL21310819 0.72 TLR8 (0.58) CNR2BACE1PIK3CATLR8NUDT1
SCHEMBL21311070 0.71 TLR8 (0.41) CNR2BACE1TLR8NUDT1KDM4E
SCHEMBL21310933 0.71 RPS6KA5 (0.44) BACE1PIK3CATLR8NUDT1HTT

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 HTR1D 849/4885AAK1 1916/4885IKBKE 209/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 HTR1D 901/4885AAK1 2094/4885IKBKE 173/4885

“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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