SCHEMBL21310893

SCHEMBL21310893

CC(C)(O)Cn1c(N)nc2cc(C3=CCCCO3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ F2R P25116 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ EGFR P00533 4/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ CTSD P07339 1/20 0.31
▸ DGAT1 O75907 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ INSR P06213 1/20 0.30
▸ ITK Q08881 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
SCHEMBL21311076 0.77 HTR1D (0.41) CNR2BACE1HTTTLR8NUDT1
SCHEMBL22725488 0.77 CNR2 (0.33) CNR2BACE1HTTTLR8NUDT1
SCHEMBL21311103 0.76 CNR2 (0.34) CNR2BACE1HTTTLR8NUDT1
SCHEMBL6415050 0.75 AAK1 (0.52) —
SCHEMBL6420487 0.74 KDM4E (0.50) CNR2BACE1HTTTLR8NUDT1
SCHEMBL6271298 0.72 RPS6KA5 (0.45) CNR2BACE1HTTTLR8NUDT1
SCHEMBL21310819 0.72 TLR8 (0.58) CNR2BACE1HTTTLR8NUDT1
SCHEMBL6419563 0.72 TERT (0.43) CNR2BACE1HTTTLR8NUDT1
SCHEMBL21310933 0.71 RPS6KA5 (0.44) BACE1HTTTLR8NUDT1ALDH1A1
SCHEMBL21310816 0.71 BACE1 (0.60) BACE1HTTTLR8NUDT1ALDH1A1

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 CNR2 1261/4885BACE1 3711/4885HTT 4174/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 CNR2 1574/4885BACE1 3748/4885HTT 3988/4885

“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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