SCHEMBL3079133

SCHEMBL3079133

CC1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n21

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 12/20 0.74
RPS6KA3 P51812 2/20 0.70
RPS6KA2 Q15349 6/20 0.65

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
SCHEMBL13143400 0.86 MAPKAPK2 (0.65) MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL13143368 0.86 MAPKAPK2 (0.72) MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL13143471 0.83 MAPKAPK2 (0.66) MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL12595353 0.83 RPS6KA3 (1.00) MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL13143309 0.81 RPS6KA2 (0.70) MAPKAPK2RPS6KA3RPS6KA2
SCHEMBL13143340 0.81 RPS6KA2 (0.74) RPS6KA3RPS6KA2
SCHEMBL13143347 0.81 RPS6KA2 (0.80) RPS6KA3RPS6KA2
SCHEMBL3090074 0.81 RPS6KA2 (0.73) RPS6KA3RPS6KA2
SCHEMBL3091036 0.80 RPS6KA2 (0.72) RPS6KA3RPS6KA2
SCHEMBL5905631 0.80 MAPKAPK2 (0.64) MAPKAPK2RPS6KA3RPS6KA2

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 302/4885RPS6KA2 123/4885

“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.