SCHEMBL15564191

SCHEMBL15564191

N#Cc1cc(-c2ccncc2)c2c(c1)cc1n2CCNC1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 14/20 0.48
▸ CDC7 O00311 2/20 0.44
▸ GSK3B P49841 2/20 0.38
▸ RPS6KA2 Q15349 2/20 0.37
▸ PKN1 Q16512 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ RPS6KA3 P51812 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
SCHEMBL17046634 0.93 RPS6KA2 (0.44) PARP1CDC7GSK3BRPS6KA2RPS6KA3
SCHEMBL17046617 0.91 PARP1 (0.59) PARP1RPS6KA2
SCHEMBL15563176 0.91 PARP1 (0.50) PARP1RPS6KA2
SCHEMBL15563906 0.88 PARP1 (0.48) PARP1RPS6KA2RPS6KA3
SCHEMBL15563830 0.87 PARP1 (0.58) PARP1RPS6KA2
SCHEMBL15563913 0.87 PARP1 (0.58) PARP1RPS6KA2RPS6KA3
SCHEMBL17046661 0.87 PARP1 (0.47) PARP1RPS6KA2
SCHEMBL15563706 0.87 PARP1 (0.45) PARP1CDC7RPS6KA2RPS6KA3
SCHEMBL17046568 0.87 PARP1 (0.45) PARP1RPS6KA2
SCHEMBL15563256 0.86 PARP1 (0.54) PARP1RPS6KA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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-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
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
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
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
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-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 (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-20150246922-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE HTR1D, HTR1A, DRD2 PARP1 57/4885CDC7 3333/4885GSK3B 549/4885

“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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