SCHEMBL2483256

SCHEMBL2483256

O=C(c1ccc([N+](=O)[O-])[nH]1)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
CES1 P23141 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
VCAM1 P19320 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APEX1 P27695 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL28908000 0.79 ALDH1A1 (0.42) ALDH1A1CES1CA1CA2TDP1
SCHEMBL3994803 0.77 APEX1 (0.44) ALDH1A1HPGDTDP1TSHRMEN1
SCHEMBL3295797 0.71 LMNA (0.39) ALDH1A1HPGDTDP1TSHR
SCHEMBL509243 0.69 ALDH1A1 (0.40) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL3282450 0.69 NPC1 (0.43) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL2059687 0.69 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1MEN1KMT2A
SCHEMBL1160372 0.67 ALDH1A1 (0.46) ALDH1A1HPGDL3MBTL1TSHRMEN1
SCHEMBL28260884 0.66
SCHEMBL28160476 0.66
SCHEMBL9918707 0.66 CA12 (0.35) ALDH1A1HPGDL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
US-6051243-A USEFUL IN THE TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL CONDITIONS ASSOCIATED WITH A KERATINIZATION DISORDER, DERMATOLOGICAL CONDITIONS (AND THE LIKE) INCLUDING AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-04-18 US disclosed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed
EP-0661260-B1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1997-03-12 EP disclosed
EP-0661260-A1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 EP 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-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES PDK1, PDPK1, CDK3 ALDH1A1 1974/4885HPGD 2407/4885CES1 4019/4885
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 2930/4885HPGD 2674/4885CES1 3817/4885

“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.