SCHEMBL3304079

SCHEMBL3304079

COc1ccc2c(Nc3ccc(F)c(Cl)c3)ncnc2c1OC1CCN(CC(=O)N(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.61
EGFR P00533 15/20 0.56
ERBB4 Q15303 1/20 0.49
PDE4B Q07343 1/20 0.48

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
SCHEMBL1331718 0.86 ERBB2 (0.82) ERBB2EGFR
SCHEMBL1446399 0.82 ERBB2 (0.63) ERBB2EGFR
SCHEMBL3304034 0.81 EGFR (0.62) ERBB2EGFRERBB4PDE4B
SCHEMBL22282665 0.80 EGFR (0.53) ERBB2EGFRERBB4PDE4B
SCHEMBL24637510 0.77 ERBB2 (0.86) ERBB2EGFR
SCHEMBL185530 0.77 ERBB2 (0.84) ERBB2EGFR
SCHEMBL29623469 0.77 ERBB2 (0.84) ERBB2EGFR
SCHEMBL4885366 0.76 ERBB2 (1.00) ERBB2EGFRERBB4
SCHEMBL24637201 0.76 ERBB2 (0.82) ERBB2EGFR
SCHEMBL4879883 0.75 ERBB2 (0.81) ERBB2EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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 (1 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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, GRK5, PRKCH ERBB2 27/4885EGFR 63/4885ERBB4 38/4885

“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.