SCHEMBL21310752

SCHEMBL21310752

CC(C)(O)CCc1ccc2c(c1)nc(N)n2CC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TLR8 Q9NR97 1/20 0.39
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
INSR P06213 2/20 0.38
ITK Q08881 2/20 0.38
IDH1 O75874 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TTBK1 Q5TCY1 1/20 0.36
CNR2 P34972 2/20 0.36
RPS6KA5 O75582 1/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TNF P01375 1/20 0.35
CXCL8 P10145 1/20 0.35
SOS1 Q07889 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
SCHEMBL21310846 0.86 RPS6KA5 (0.47) EGFRHTTALDH1A1POLBTLR8
SCHEMBL21310820 0.86 TLR8 (0.43) HTTALDH1A1POLBTLR8NUDT1
SCHEMBL21310818 0.82 EGFR (0.48) EGFRHTTALDH1A1POLBTLR8
SCHEMBL6420487 0.82 KDM4E (0.50) HTTALDH1A1POLBTLR8NUDT1
SCHEMBL6271298 0.81 RPS6KA5 (0.45) HTTALDH1A1POLBTLR8NUDT1
SCHEMBL21310819 0.81 TLR8 (0.58) EGFRHTTALDH1A1POLBTLR8
SCHEMBL21310816 0.80 BACE1 (0.60) HTTALDH1A1POLBTLR8NUDT1
SCHEMBL21310933 0.80 RPS6KA5 (0.44) HTTALDH1A1POLBTLR8NUDT1
SCHEMBL21311070 0.80 TLR8 (0.41) HTTALDH1A1POLBTLR8NUDT1
SCHEMBL21310822 0.80 BACE1 (0.41) HTTALDH1A1POLBTLR8NUDT1

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 1/4885HTT 4174/4885ALDH1A1 1321/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885HTT 3988/4885ALDH1A1 1274/4885

“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.