SCHEMBL21311054

SCHEMBL21311054

Cc1ccc2c(c1)nc(N)n2[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 2/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ EGFR P00533 7/20 0.49
▸ TLR8 Q9NR97 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MCHR1 Q99705 5/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ EP300 Q09472 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP11B2 P19099 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL1923775 0.83 CYP11B2 (0.49) EGFRKDM4EALDH1A1MAPTGFER
SCHEMBL1923774 0.83 CYP11B2 (0.49) EGFRKDM4EALDH1A1MAPTGFER
SCHEMBL2033557 0.81 PRKACA (0.53) PRKACAGSK3BRPS6KB1EGFRKDM4E
SCHEMBL2033562 0.81 PRKACA (0.53) PRKACAGSK3BRPS6KB1EGFRKDM4E
SCHEMBL21310850 0.80 KDM4E (0.37) PRKACAGSK3BRPS6KB1EGFRKDM4E
SCHEMBL21311046 0.80 RPS6KB1 (0.50) PRKACAGSK3BRPS6KB1EGFRCYP11B2
SCHEMBL21310915 0.80 RPS6KB1 (0.50) PRKACAGSK3BRPS6KB1EGFRCYP11B2
SCHEMBL21311021 0.79 RPS6KB1 (0.57) RPS6KB1EGFRKDM4EL3MBTL1
SCHEMBL2031012 0.79 RPS6KB1 (0.49) RPS6KB1EGFRKDM4EALDH1A1MAPT
SCHEMBL2031010 0.79 RPS6KB1 (0.49) RPS6KB1EGFRKDM4EALDH1A1MAPT

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 PRKACA 361/4885GSK3B 583/4885RPS6KB1 357/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 PRKACA 353/4885GSK3B 443/4885RPS6KB1 412/4885

“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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