SCHEMBL21310941

SCHEMBL21310941

COC(=O)c1ccc2c(c1)nc(N)n2CC(C)(C)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.58
KDM4E B2RXH2 1/20 0.57
TLR8 Q9NR97 2/20 0.52
PTGER4 P35408 2/20 0.46
EHMT2 Q96KQ7 1/20 0.44
ITK Q08881 1/20 0.44
ACSS2 Q9NR19 1/20 0.43
ADORA2A P29274 1/20 0.43
CNR2 P34972 1/20 0.42
KIF11 P52732 2/20 0.42
FGFR1 P11362 1/20 0.42
RAB9A P51151 1/20 0.42
RPS6KB1 P23443 1/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL21310907 0.90 TLR7 (0.55) TLR7KDM4ETLR8ACSS2RAB9A
SCHEMBL21310908 0.86 RPS6KA5 (0.49) TLR7KDM4ETLR8ADORA2ACNR2
SCHEMBL22725496 0.84 KDM4E (0.56) TLR7KDM4ETLR8PTGER4EHMT2
SCHEMBL22121391 0.82 KDM4E (0.60) TLR7KDM4EPTGER4EHMT2ITK
SCHEMBL2362229 0.81 KDM4E (0.58) TLR7KDM4EPTGER4EHMT2ITK
SCHEMBL21310917 0.81 EGFR (0.54) TLR7ITKADORA2ARAB9A
SCHEMBL6270717 0.80 ALDH1A1 (0.61) TLR7TLR8ACSS2ADORA2A
SCHEMBL19436514 0.80 KDM4E (0.56) KDM4ETLR8PTGER4EHMT2ITK
SCHEMBL6420487 0.79 KDM4E (0.50) TLR7KDM4ETLR8ACSS2CNR2
Bromide SCHEMBL23227960 0.79 KDM4E (0.55) KDM4ETLR8PTGER4EHMT2ITK

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 TLR7 4378/4885KDM4E 2662/4885TLR8 3372/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 TLR7 4241/4885KDM4E 2411/4885TLR8 3379/4885

“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.