SCHEMBL1504448

SCHEMBL1504448

CC(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
HPGD P15428 2/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 2/20 0.51
PKM P14618 2/20 0.51
LMNA P02545 1/20 0.51
SMYD3 Q9H7B4 2/20 0.48
AKR1C3 P42330 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL409300 0.85 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL5384059 0.81 KMT2A (0.62) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL27483961 0.80 SMYD3 (0.51) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL30395996 0.79 SMYD3 (0.47) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL8406520 0.77 BAZ2B (0.44) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL13505930 0.77 ALDH1A1 (0.51) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL8284047 0.76 TDP1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL19101990 0.76 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL12684497 0.75 KMT2A (0.59) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL4795443 0.75 MEN1 (0.56) ALDH1A1HPGDMEN1KMT2AL3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788350-B1 4-ALKYL SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-12-06 EP disclosed
EP-2788351-B1 SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-06-28 EP disclosed
EP-2788351-B1 SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-06-28 EP disclosed
US-9181258-B2 Substituted 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-ones as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-11-10 US disclosed
US-9145418-B2 Substituted 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-ones as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-09-29 US disclosed
US-9145418-B2 Substituted 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-ones as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-09-29 US disclosed
US-9145418-B2 Substituted 3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-ones as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-09-29 US disclosed
EP-2788350-A1 4-ALKYL SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-10-15 EP disclosed
EP-2788351-A1 SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-10-15 EP disclosed
US-20140249146-A1 4-ALKYL SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-09-04 US disclosed
WO-2013050448-A1 4-ALKYL SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-04-11 WO disclosed
WO-2013050446-A1 SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-04-11 WO disclosed
WO-2013050446-A1 SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-04-11 WO disclosed
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20140249146-A1 4-ALKYL SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-a]PYRAZIN-1(2H)-ONE DERIVATIVES AS KINASES INHIBITORS MAP3K1, MAP3K20, MAP4K2 ALDH1A1 2585/4885HPGD 1473/4885MEN1 4130/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885HPGD 545/4885MEN1 440/4885

“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.