SCHEMBL6793929

SCHEMBL6793929

O=C(Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.51
BAZ1A Q9NRL2 3/20 0.51
EGFR P00533 1/20 0.46
BTK Q06187 1/20 0.46
ITK Q08881 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
DDX3X O00571 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TOP2A P11388 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6798680 0.94 KDR (0.48) PPIABAZ1AEGFRBTKITK
SCHEMBL6802625 0.91 MAPT (0.51) EGFRBTKITKKMT2AMEN1
SCHEMBL6794031 0.90 EGFR (0.51) EGFRBTKITKKMT2AMEN1
SCHEMBL6796204 0.90 EGFR (0.45) PPIABAZ1AEGFRBTKITK
SCHEMBL6794757 0.89 TP53 (0.47) EGFRBTKITKKMT2AMEN1
SCHEMBL6801649 0.89 PDE4A (0.51) KMT2AMEN1POLBMAPTHTT
SCHEMBL6802886 0.87 EGFR (0.49) EGFRBTKITKKMT2AMEN1
SCHEMBL6796699 0.86 HTR1A (0.49) EGFRBTKITKKMT2AMEN1
SCHEMBL6791969 0.86 EGFR (0.52) EGFRBTKITKKMT2AMEN1
SCHEMBL6797815 0.85 KDR (0.49) EGFRBTKITKMAPTHTT

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-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 PPIA 3584/4885BAZ1A 596/4885EGFR 419/4885

“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.