SCHEMBL2160313

SCHEMBL2160313

COc1cc(OCCCC(=O)[CH]N)ccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAOB P27338 2/20 0.51
S1PR1 P21453 1/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ERN1 O75460 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
PTPN1 P18031 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL5879172 0.88 ALDH1A1 (0.58) ALDH1A1MAOBS1PR1CYP1A1CYP1B1
SCHEMBL1124419 0.85 ALDH1A1 (0.58) ALDH1A1MAOBS1PR1MAPTMEN1
SCHEMBL4529316 0.85 ALDH1A1 (0.54) ALDH1A1MAOBS1PR1ROCK2ROCK1
SCHEMBL2160315 0.85 ALDH1A1 (0.54) ALDH1A1MAOBS1PR1CYP1A1CYP1B1
SCHEMBL4529312 0.84 ALDH1A1 (0.52) ALDH1A1MAOBS1PR1ROCK2ROCK1
SCHEMBL12744692 0.82 ALDH1A1 (0.51) ALDH1A1MAOBS1PR1ROCK2ROCK1
SCHEMBL2654870 0.81 PTPN1 (0.55) ALDH1A1MAOBMAPTPTPN1
SCHEMBL4059477 0.81 ALDH1A1 (0.67) ALDH1A1MAOBCYP1A1CYP1B1ERN1
SCHEMBL2352641 0.79 ALDH1A1 (0.65) ALDH1A1MAOBCYP1A1CYP1B1ROCK2
SCHEMBL5654410 0.78 ALDH1A1 (0.63) ALDH1A1MAOBS1PR1CYP1A1CYP1B1

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 15 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
EP-2376492-B1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-08 EP disclosed
US-8981092-B2 Substituted 3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-ones as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-17 US 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-20130137696-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE DERIVATIVES FOR THE MODULATION OF THE ACTIVITY OF PROTEIN KINASES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 US disclosed
US-8394802-B2 3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one derivatives for the modulation of the activity of protein kinases NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-03-12 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
EP-2376492-A1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2011-10-19 EP disclosed
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L (IT) 2011-10-13 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-2010031816-A1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 WO 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
WO-2003051877-A1 2-SUBSTITUTED PYRROLO[2.1-A]ISOQUINOLINES AGAINST CANCER BAYER CORPORATION (US) 2003-06-26 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 (4 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 ALDH1A1 2399/4885MAOB 1472/4885S1PR1 1843/4885
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 ALDH1A1 2399/4885MAOB 1472/4885S1PR1 1843/4885
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES PDK1, PDPK1, CDK3 ALDH1A1 1974/4885MAOB 4038/4885S1PR1 2015/4885
US-20130137696-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE DERIVATIVES FOR THE MODULATION OF THE ACTIVITY OF PROTEIN KINASES MAP3K15, MAP3K1, MAP3K3 ALDH1A1 2930/4885MAOB 3985/4885S1PR1 2095/4885

“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.