SCHEMBL15564291

SCHEMBL15564291

C[C@H]1CCNC(=O)c2cc3cc(F)cc(Br)c3n21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 15/20 0.45
RPS6KA3 P51812 5/20 0.39
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL15564288 1.00 RPS6KA2 (0.45) RPS6KA2RPS6KA3HRH3
SCHEMBL4049375 0.87 HRH3 (0.44) RPS6KA2RPS6KA3HRH3
SCHEMBL4049372 0.87 HRH3 (0.44) RPS6KA2RPS6KA3HRH3
SCHEMBL17046590 0.81 RPS6KA2 (0.45) RPS6KA2RPS6KA3
SCHEMBL17046589 0.81 RPS6KA2 (0.45) RPS6KA2RPS6KA3
SCHEMBL15563479 0.81 RPS6KA2 (0.47) RPS6KA2RPS6KA3
SCHEMBL17046579 0.81 RPS6KA2 (0.47) RPS6KA2RPS6KA3
SCHEMBL15564577 0.74 PARP1 (0.48) RPS6KA3HRH3
SCHEMBL4043307 0.72 RPS6KA2 (0.40) RPS6KA2RPS6KA3HRH3
SCHEMBL4043314 0.72 RPS6KA2 (0.40) RPS6KA2RPS6KA3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981538-B1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
EP-2880036-B1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN LA ROCHE (CH) 2017-03-08 EP disclosed
US-9586966-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2017-03-07 US disclosed
US-9284321-B2 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-1-one HOFFMANN-LA ROCHE INC. (US) 2016-03-15 US disclosed
EP-2981538-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. Hoffmann-La Roche AG (CH) 2016-02-10 EP disclosed
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
US-20150246922-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HOFFMANN-LA ROCHE INC. (US) 2015-09-03 US disclosed
EP-2880036-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. Hoffmann-La Roche AG (CH) 2015-06-10 EP disclosed
WO-2014161801-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-09 WO disclosed
WO-2014023674-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 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 (2 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-20150246922-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HTR1D, HTR1A, DRD2 RPS6KA2 1996/4885RPS6KA3 2135/4885HRH3 1436/4885
US-20160016963-A1 Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-one DRD3, HTR3C, HTR1D RPS6KA2 1443/4885RPS6KA3 732/4885HRH3 661/4885

“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.