SCHEMBL22725504

SCHEMBL22725504

CNc1nc2cc(C3=CCN(C)CC3)ccc2n1CC(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.44
▸ EGFR P00533 8/20 0.40
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL21310799 0.85 QDPR (0.48) QDPRCNR2
SCHEMBL22725496 0.68 KDM4E (0.56) EGFRCNR2
SCHEMBL21311076 0.67 HTR1D (0.41) CNR2
SCHEMBL15030369 0.65 QDPR (0.64) QDPR
SCHEMBL15317629 0.64 QDPR (0.54) QDPR
SCHEMBL21311103 0.64 CNR2 (0.34) EGFRCNR2
SCHEMBL23123775 0.63 QDPR (0.52) QDPR
SCHEMBL29789851 0.63 QDPR (0.52) QDPR
SCHEMBL7744453 0.63 QDPR (1.00) QDPR
SCHEMBL22725488 0.62 CNR2 (0.33) EGFRCNR2

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 2 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

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 QDPR 2292/4885EGFR 1/4885CNR2 1261/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 QDPR 1871/4885EGFR 1/4885CNR2 1574/4885

“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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