SCHEMBL6798680

SCHEMBL6798680

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.48
EGFR P00533 1/20 0.47
BTK Q06187 1/20 0.47
ITK Q08881 1/20 0.47
PPIA P62937 3/20 0.47
PPIF P30405 1/20 0.47
BAZ1A Q9NRL2 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.41
IGF1R P08069 1/20 0.41
TP53 P04637 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL6793929 0.94 PPIA (0.51) EGFRBTKITKPPIABAZ1A
SCHEMBL6794031 0.91 EGFR (0.51) KDREGFRBTKITKMEN1
SCHEMBL6794757 0.91 TP53 (0.47) KDREGFRBTKITKMEN1
SCHEMBL6796204 0.89 EGFR (0.45) KDREGFRBTKITKPPIA
SCHEMBL6802886 0.88 EGFR (0.49) EGFRBTKITKMEN1KMT2A
SCHEMBL6802625 0.87 MAPT (0.51) KDREGFRBTKITKMEN1
SCHEMBL6792521 0.86 EGFR (0.49) EGFRBTKITKMEN1KMT2A
SCHEMBL6796817 0.86 EGFR (0.48) KDREGFRBTKITKPPIA
SCHEMBL6799814 0.86 EGFR (0.63) KDREGFRBTKITKMEN1
SCHEMBL6792413 0.86 MAPT (0.56) EGFRBTKITKMEN1KMT2A

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 6 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
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 KDR 3027/4885EGFR 419/4885BTK 2100/4885

“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.