SCHEMBL21311021

SCHEMBL21311021

COC(=O)c1ccc2c(c1)nc(N)n2[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ IDH1 O75874 12/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ EGFR P00533 2/20 0.42
▸ PTGER4 P35408 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
SCHEMBL2031012 0.88 RPS6KB1 (0.49) RPS6KB1KDM4EL3MBTL1EGFR
SCHEMBL2031010 0.88 RPS6KB1 (0.49) RPS6KB1KDM4EL3MBTL1EGFR
SCHEMBL21310909 0.87 RPS6KB1 (0.58) RPS6KB1KDM4EL3MBTL1IDH1EGFR
SCHEMBL21310906 0.87 RPS6KB1 (0.58) RPS6KB1KDM4EL3MBTL1IDH1EGFR
SCHEMBL18477019 0.81 RPS6KB1 (0.55) RPS6KB1KDM4EL3MBTL1IDH1
SCHEMBL21311054 0.79 PRKACA (0.50) RPS6KB1KDM4EL3MBTL1EGFR
SCHEMBL21310910 0.79 GRK6 (0.46) RPS6KB1KDM4EIDH1EGFRPTGER4
SCHEMBL2030741 0.77 L3MBTL1 (0.57) RPS6KB1KDM4EL3MBTL1
SCHEMBL1923774 0.76 CYP11B2 (0.49) KDM4EL3MBTL1EGFR
SCHEMBL1923775 0.76 CYP11B2 (0.49) KDM4EL3MBTL1EGFR

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 RPS6KB1 357/4885KDM4E 2662/4885L3MBTL1 1629/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 RPS6KB1 412/4885KDM4E 2411/4885L3MBTL1 1333/4885

“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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