SCHEMBL17046568

SCHEMBL17046568

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)c2c(c1)cc1n2CCNC1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 14/20 0.45
▸ KIF11 P52732 1/20 0.38
▸ KDM1A O60341 2/20 0.36
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL15563839 0.94 RPS6KA2 (0.42) PARP1KIF11KDM1APARP10PARP11
SCHEMBL15563523 0.90 PARP1 (0.53) PARP1PARP10PARP11
SCHEMBL17046643 0.89 PARP1 (0.45) PARP1KIF11RPS6KA2
SCHEMBL15563176 0.89 PARP1 (0.50) PARP1RPS6KA2
SCHEMBL15563830 0.88 PARP1 (0.58) PARP1RPS6KA2
SCHEMBL15563328 0.88 RPS6KA2 (0.38) PARP1KIF11KDM1ARPS6KA2
SCHEMBL15564191 0.87 PARP1 (0.48) PARP1RPS6KA2
SCHEMBL17046582 0.87 PARP1 (0.54) PARP1PARP10PARP11RPS6KA2
SCHEMBL17046598 0.87 PARP1 (0.45) PARP1KDM1A
SCHEMBL17046617 0.87 PARP1 (0.59) 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 9 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-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

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 57/4885KIF11 1813/4885KDM1A 3442/4885

“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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