SCHEMBL3084607

SCHEMBL3084607

O=C(Nc1ccccc1)c1ccc2cc3n(c2c1)CCNC3=O

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 17/20 0.88
RPS6KA3 P51812 9/20 0.88
MAPKAPK2 P49137 3/20 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
SCHEMBL12598199 0.93 RPS6KA2 (1.00) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL12598243 0.88 RPS6KA3 (1.00) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL16102504 0.88 RPS6KA2 (0.70) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL13143252 0.87 RPS6KA2 (0.89) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL16100010 0.87 RPS6KA3 (0.69) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL3091679 0.85 RPS6KA3 (0.90) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL12598247 0.84 RPS6KA2 (1.00) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL12598191 0.83 RPS6KA2 (1.00) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL12598777 0.83 RPS6KA2 (0.89) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL16101341 0.83 RPS6KA2 (0.67) RPS6KA2RPS6KA3MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
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 RPS6KA2 123/4885RPS6KA3 302/4885MAPKAPK2 1/4885

“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.