SCHEMBL3079464

SCHEMBL3079464

CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 12/20 1.00
RPS6KA2 Q15349 14/20 0.74
MAPKAPK2 P49137 3/20 0.66

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
SCHEMBL14892574 0.85 RPS6KA3 (1.00) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL12598950 0.82 RPS6KA3 (1.00) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL12598906 0.81 RPS6KA3 (1.00) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL1980639 0.80 RPS6KA2 (1.00) RPS6KA3RPS6KA2
SCHEMBL12598242 0.80 RPS6KA3 (1.00) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL12598642 0.80 RPS6KA2 (1.00) RPS6KA3RPS6KA2
SCHEMBL1979144 0.79 RPS6KA2 (1.00) RPS6KA3RPS6KA2
SCHEMBL12598243 0.79 RPS6KA3 (1.00) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL3088023 0.79 RPS6KA3 (1.00) RPS6KA3RPS6KA2MAPKAPK2
SCHEMBL14892002 0.79 RPS6KA3 (1.00) RPS6KA3RPS6KA2MAPKAPK2

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 RPS6KA3 302/4885RPS6KA2 123/4885MAPKAPK2 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.