SCHEMBL2160684

SCHEMBL2160684

Nc1ccc2c(c1)cc1n2CCNC1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
CYP2D6 P10635 1/20 0.54
RPS6KA3 P51812 5/20 0.47
BRPF1 P55201 2/20 0.42
MAPKAPK2 P49137 2/20 0.41
PARP1 P09874 4/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RPS6KA2 Q15349 3/20 0.39

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
SCHEMBL19252882 0.88 RPS6KA3 (0.56) HRH3CYP2D6RPS6KA3MAPKAPK2RPS6KA2
SCHEMBL38652638 0.82 HRH3 (0.52) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL2980522 0.82 HRH3 (0.52) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL38652559 0.82 HRH3 (0.52) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL19187485 0.82 HRH3 (0.52) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL1393632 0.80 RPS6KA3 (0.53) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL30172384 0.80 RPS6KA3 (0.53) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL29153647 0.78 HRH3 (0.49) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL30104848 0.78 HRH3 (0.49) HRH3CYP2D6RPS6KA3MAPKAPK2PARP1
SCHEMBL4045284 0.78 HRH3 (0.63) HRH3CYP2D6PARP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254886-B1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-25 EP disclosed
US-8513241-B2 3,4-dihydro-2H-pyrazino[1,2-A]indol-1-one derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-08-20 US disclosed
US-20120232085-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-13 US disclosed
US-8207165-B2 3,4-dihydro-2H-pyrazino[1,2-A]indol-1-one derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20110183971-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-07-28 US disclosed
EP-2254886-A2 3,4-DIHYDRO-2H-PYRAZINOÝ1,2-A¨INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Nerviano Medical Sciences S.r.l. (IT) 2010-12-01 EP disclosed
WO-2009118411-A2 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-10-01 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-20110183971-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MAP3K1, PDPK1, MAP3K15 HRH3 2046/4885CYP2D6 2082/4885RPS6KA3 208/4885
US-20120232085-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MAP3K1, PDPK1, MAP3K15 HRH3 2046/4885CYP2D6 2082/4885RPS6KA3 208/4885

“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.