SCHEMBL21310909

SCHEMBL21310909

COC(=O)c1ccc2c(c1)nc(N)n2[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.58
▸ IDH1 O75874 15/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ EGFR P00533 2/20 0.43

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
SCHEMBL21310906 1.00 RPS6KB1 (0.58) RPS6KB1IDH1L3MBTL1KDM4EEGFR
SCHEMBL21311021 0.87 RPS6KB1 (0.57) RPS6KB1IDH1L3MBTL1KDM4EEGFR
SCHEMBL21310848 0.79 KDM4E (0.38) RPS6KB1L3MBTL1KDM4EEGFR
SCHEMBL21310847 0.79 KDM4E (0.38) RPS6KB1L3MBTL1KDM4EEGFR
SCHEMBL16895972 0.77 RPS6KB1 (0.49) RPS6KB1IDH1L3MBTL1KDM4E
SCHEMBL16895971 0.77 RPS6KB1 (0.49) RPS6KB1IDH1L3MBTL1KDM4E
SCHEMBL4565790 0.77 PRKACA (0.54) RPS6KB1IDH1KDM4EEGFR
SCHEMBL2030741 0.76 L3MBTL1 (0.57) RPS6KB1L3MBTL1KDM4E
SCHEMBL21311234 0.75 PRKACA (0.47) RPS6KB1EGFR
SCHEMBL21311265 0.75 PRKACA (0.47) RPS6KB1EGFR

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 357/4885IDH1 471/4885L3MBTL1 1629/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 RPS6KB1 412/4885IDH1 414/4885L3MBTL1 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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