SCHEMBL5762599

SCHEMBL5762599

C[C@@H]1CNC(=O)c2cc3ccc(Cl)nc3n21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 19/20 0.56
▸ RPS6KA2 Q15349 4/20 0.48
▸ RPS6KA1 Q15418 2/20 0.48
▸ RPS6KA6 Q9UK32 2/20 0.48

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
SCHEMBL19252841 0.86 RPS6KA3 (0.53) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL5389081 0.84 RPS6KA3 (0.53) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1982846 0.81 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1981787 0.81 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL30137600 0.81 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1982725 0.81 RPS6KA3 (0.64) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL18573359 0.80 RPS6KA3 (0.50) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL5220213 0.80 RPS6KA3 (0.50) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL5388590 0.80 RPS6KA3 (0.50) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL5760326 0.80 RPS6KA3 (0.54) RPS6KA3RPS6KA2RPS6KA1RPS6KA6

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-7098337-B2 1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene and 1,2,3,4-tetrahydro-2,4a,5-triaza-fluorene derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 — — US disclosed
EP-1472255-B1 AZA-ARYLPIPERAZINES HOFFMANN LA ROCHE (CH) 2006-03-01 — — EP disclosed
EP-1472255-A1 AZA-ARYLPIPERAZINES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-03 — — EP disclosed
US-20030207888-A1 Piperazine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-11-06 — — US disclosed
WO-2003064423-A1 AZA-ARYLPIPERAZINES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-07 — — 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-20030207888-A1 Piperazine derivatives GPR119, CPT1B, CYP2E1 RPS6KA3 3909/4885RPS6KA2 3947/4885RPS6KA1 2882/4885

“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.

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