SCHEMBL4014057

SCHEMBL4014057

Nc1ncc(Br)nc1NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.57
PDE5A O76074 2/20 0.51
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 4/20 0.46
HRH4 Q9H3N8 1/20 0.46
POLB P06746 2/20 0.46
KCNN3 Q9UGI6 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL16042554 0.79 APP (0.53) EGFRMAPTALDH1A1KDM4EGAA
SCHEMBL18627615 0.78 LDHA (0.54) EGFRMAPTHTTLDHALDHB
SCHEMBL12547605 0.75 LDHA (0.50) EGFRPDE5AMAPTGAALDHA
SCHEMBL17201936 0.75 EGFR (0.53) EGFRPDE5AIDO1TDO2MAPT
SCHEMBL4045936 0.75 EGFR (0.53) EGFRPDE5AMAPTMEN1KMT2A
SCHEMBL6836422 0.73 EGFR (1.00) EGFRPDE5A
SCHEMBL6904713 0.72 KCNN3 (0.51) EGFRPDE5AMAPTMEN1KMT2A
SCHEMBL20445842 0.72 IDO1 (0.50) EGFRPDE5AIDO1TDO2MAPT
SCHEMBL29834915 0.71 EGFR (0.52) EGFRPDE5AMAPTMEN1KMT2A
SCHEMBL26921317 0.71 EGFR (0.52) EGFRPDE5AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608622-B2 1 -Phenylerhyl)-6-(3,4,5-trimethoxyphenyl)- 1 ,3-dihydroimidazo[4,5-b]pyrazin-2-one; JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7608622-B2 1 -Phenylerhyl)-6-(3,4,5-trimethoxyphenyl)- 1 ,3-dihydroimidazo[4,5-b]pyrazin-2-one; JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
US-7608622-B2 1 -Phenylerhyl)-6-(3,4,5-trimethoxyphenyl)- 1 ,3-dihydroimidazo[4,5-b]pyrazin-2-one; JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
EP-1796467-A4 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 EP disclosed
EP-1796467-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
US-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 US disclosed
WO-2006036883-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 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 (1 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-20060106022-A1 Imidazo[4,5-b]pyrazinone inhibitors of protein kinases AURKA, AURKC, AURKB EGFR 1459/4885PDE5A 2521/4885IDO1 864/4885

“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.