SCHEMBL3305280

SCHEMBL3305280

CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 1.00
MAPK13 O15264 2/20 0.79
MAPK12 P53778 2/20 0.79
MAPK11 Q15759 2/20 0.79

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
SCHEMBL16573726 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669792 0.87 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669408 0.84 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6668555 0.82 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669033 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6869200 0.78 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6672113 0.77 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6667322 0.76 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6667002 0.76 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6696682 0.76 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11

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-20100099651-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-2086641-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP disclosed
WO-2008049842-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 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 (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 MAPK14 71/4885MAPK13 106/4885MAPK12 89/4885

“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.