SCHEMBL4222228

SCHEMBL4222228

Nc1ccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)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 1/20 0.71
MAPK12 P53778 1/20 0.71
MAPK11 Q15759 1/20 0.71

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
SCHEMBL13877018 0.89 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4219689 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL28396111 0.83 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL13877021 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL25498192 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4222230 0.81 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4220120 0.81 MAPK14 (0.81) MAPK14
SCHEMBL13769497 0.81 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2316384 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5655558 0.76 TDP1 (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 US claimed
EP-1881968-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2008-01-30 EP claimed
WO-2006120010-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2006-11-16 WO claimed
US-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds MERCKLE GMBH (DE) 2009-04-23 US disclosed
EP-1881968-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2008-01-30 EP disclosed
WO-2006120010-A2 DIBENZOCYCLOHEPTANE COMPOUNDS AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS MERCKLE GMBH (DE) 2006-11-16 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-20090105327-A1 Dibenzocycloheptane compounds and pharmaceuticals containing these compounds BDKRB1, IL1R1, IL1A MAPK14 3479/4885MAPK13 3037/4885MAPK12 2618/4885

“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.