SCHEMBL3138592

SCHEMBL3138592

O=c1[nH]ccnc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.56
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
ACHE P22303 4/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
JAK2 O60674 3/20 0.50
TYK2 P29597 3/20 0.50
JAK3 P52333 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
NTSR1 P30989 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MCHR1 Q99705 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
BCHE P06276 1/20 0.49
MALT1 Q9UDY8 1/20 0.49
RAB9A P51151 2/20 0.48

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
SCHEMBL13404371 0.93 JAK1 (0.50) JAK1KDM4EGAAACHEHRH3
SCHEMBL13404392 0.91 NPC1 (0.56) JAK1KDM4EGAAHRH3HTT
SCHEMBL13404378 0.88 SIGMAR1 (0.49) JAK1GAAACHEHRH3KMT2A
SCHEMBL13452931 0.87 MCHR1 (0.55) ACHEMCHR1SIGMAR1
SCHEMBL13404416 0.86 DNMT3A (0.50) JAK1HRH3JAK2TYK2JAK3
SCHEMBL13404385 0.84 JAK1 (0.41) JAK1JAK2TYK2JAK3MCHR1
SCHEMBL27256629 0.83 HRH3 (0.56) JAK1KDM4EGAAACHEHRH3
SCHEMBL13633424 0.82 HTR1A (0.52) SIGMAR1DRD2
SCHEMBL13306944 0.81 MCHR1 (0.51) GAAHTTSMN1; SMN2LMNAMCHR1
SCHEMBL3138352 0.79 ACHE (0.59) KDM4EGAAACHEHRH3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013202-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-06-16 EP disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
EP-1966191-B1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-03-17 EP disclosed
EP-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
EP-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
EP-2091942-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-26 EP disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 WO disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 WO disclosed
WO-2007122173-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
WO-2007071639-A1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 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 (3 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 JAK1 2882/4885KDM4E 3069/4885GAA 1762/4885
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 JAK1 2248/4885KDM4E 3045/4885GAA 1866/4885
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A JAK1 3097/4885KDM4E 3808/4885GAA 2584/4885

“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.