SCHEMBL3086731

SCHEMBL3086731

NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 19/20 1.00
RPS6KA3 P51812 2/20 0.67

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
SCHEMBL13143262 1.00 MAPKAPK2 (1.00) MAPKAPK2RPS6KA3
SCHEMBL3086102 0.80 RPS6KA3 (1.00) MAPKAPK2RPS6KA3
SCHEMBL13143255 0.80 RPS6KA3 (1.00) MAPKAPK2RPS6KA3
SCHEMBL13143254 0.80 MAPKAPK2 (1.00) MAPKAPK2RPS6KA3
SCHEMBL3087874 0.78 MAPKAPK2 (0.63) MAPKAPK2RPS6KA3
SCHEMBL3087877 0.78 MAPKAPK2 (0.63) MAPKAPK2RPS6KA3
SCHEMBL13143258 0.78 MAPKAPK2 (0.72) MAPKAPK2RPS6KA3
SCHEMBL3079196 0.78 MAPKAPK2 (0.72) MAPKAPK2RPS6KA3
SCHEMBL13143270 0.76 MAPKAPK2 (0.70) MAPKAPK2RPS6KA3
SCHEMBL3079133 0.74 MAPKAPK2 (0.74) MAPKAPK2RPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
US-7790712-B2 Substituted [1,4]diazepino[1,2-A]indoles and azepino[1,2-A]indoles as anti-cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICAL, INC. (US) 2010-09-07 US disclosed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 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-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885RPS6KA3 302/4885

“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.