SCHEMBL4756741

SCHEMBL4756741

c1ccc2c(c1)cc1cnccn12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAD51 Q06609 1/20 0.36
SLC6A2 P23975 2/20 0.35
IDO1 P14902 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL38659921 1.00 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2MAPTKDM4E
Fumaric Acid SCHEMBL9431713 0.87 SLC6A2 (0.40) CYP19A1KDM4EALDH1A1HPGDSLC6A2
Fumaric Acid SCHEMBL9431708 0.87 SLC6A2 (0.40) CYP19A1KDM4EALDH1A1HPGDSLC6A2
SCHEMBL9430919 0.76 CYP11B2 (0.38) CYP19A1CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL5728067 0.75 KDM4E (0.40) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL30307422 0.74 ALDH1A1 (0.42) MAPTKDM4EGAAALDH1A1GLA
SCHEMBL64923 0.74 ALDH1A1 (0.42) MAPTKDM4EGAAALDH1A1GLA
SCHEMBL4499485 0.74 MAPT (0.38) CYP19A1MAPTKDM4ESLC6A2IDO1
SCHEMBL4503239 0.74 MAPT (0.41) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL20508344 0.72 SMN1; SMN2 (0.34) CYP19A1MAPTKDM4EALDH1A1HPGD

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-2989105-B1 PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2020-03-11 EP disclosed
EP-2989104-B1 PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2019-08-21 EP disclosed
US-9963453-B2 Substituted pyrazino[1,2-a]indoles as sigma receptor activity modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-08 US disclosed
US-9963453-B2 Substituted pyrazino[1,2-a]indoles as sigma receptor activity modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-08 US disclosed
US-9879015-B2 Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-01-30 US disclosed
US-9879015-B2 Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-01-30 US disclosed
US-20160075709-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-17 US disclosed
US-20160060268-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-03 US disclosed
CN-105339369-A Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments ESTEVE LABOR DR 2016-02-17 CN disclosed
CN-105263933-A Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments ESTEVE LABOR DR 2016-01-20 CN disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
EP-1625129-B1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2008-03-05 EP disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
US-7145009-B2 Pirazino(aza)indole derivatives VERNALIS RESEARCH LIMITED (GB) 2006-12-05 US disclosed
US-20060160816-A1 Pirazino(AZA) indole derivatives VERNALIS RESEARCH LIMITED 2006-07-20 US disclosed
US-6800627-B1 CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS, DIABETES INSPIDUS, SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2004-10-05 US disclosed
US-20040092525-A1 Pirazino(aza)indole derivatives VERNALIS RESEARCH LIMITED 2004-05-13 US disclosed
US-20040039200-A1 Pirazino(AZA)indole derivatives VERNALIS RESEARCH LIMITED 2004-02-26 US disclosed
EP-1147110-B1 PYRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RES LTD (GB) 2003-05-07 EP disclosed
WO-1996012721-A1 INDOLE DERIVATIVES USEFUL AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-02 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 (6 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-20040092525-A1 Pirazino(aza)indole derivatives PIR, GPR119, INMT CYP19A1 249/4885CYP11B1 34/4885CYP11B2 29/4885
US-20060160816-A1 Pirazino(AZA) indole derivatives PIR, GPR119, INMT CYP19A1 367/4885CYP11B1 43/4885CYP11B2 28/4885
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents TYMP, RPL35, EIF2AK2 CYP19A1 3895/4885CYP11B1 1817/4885CYP11B2 1187/4885
US-20040039200-A1 Pirazino(AZA)indole derivatives PIR, GPR119, INMT CYP19A1 249/4885CYP11B1 34/4885CYP11B2 29/4885
US-20160060268-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS IDO1, TPH1, IDO2 CYP19A1 814/4885CYP11B1 111/4885CYP11B2 61/4885
US-20160075709-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS IDO1, TPH1, IDO2 CYP19A1 814/4885CYP11B1 111/4885CYP11B2 61/4885

“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.