SCHEMBL21311234

SCHEMBL21311234

Nc1nc2ccccc2n1[C@@H]1CCC[C@@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 3/20 0.47
▸ RPS6KB1 P23443 3/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ ROCK1 Q13464 3/20 0.47
▸ TP53 P04637 1/20 0.45
▸ OPRM1 P35372 9/20 0.44
▸ OPRK1 P41145 9/20 0.44
▸ OGFRL1 Q5TC84 8/20 0.44
▸ OPRD1 P41143 8/20 0.44
▸ OPRL1 P41146 2/20 0.44
▸ EGFR P00533 6/20 0.43
▸ NOS2 P35228 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
SCHEMBL21311242 1.00 PRKACA (0.47) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL21311265 1.00 PRKACA (0.47) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL21311262 1.00 PRKACA (0.47) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL21310921 0.92 RPS6KB1 (0.45) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL21310918 0.92 RPS6KB1 (0.45) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL6196431 0.87 RPS6KB1 (0.58) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL21148134 0.87 RPS6KB1 (0.58) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL6196424 0.87 RPS6KB1 (0.58) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL6198016 0.87 RPS6KB1 (0.58) PRKACARPS6KB1GSK3BROCK1TP53
SCHEMBL22725453 0.85 NOS2 (0.46) PRKACARPS6KB1GSK3BROCK1TP53

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

“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.

Send feedback