SCHEMBL6796875

SCHEMBL6796875

O=C(Nc1cccc(Nc2ncccc2[N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.56
KCNK9 Q9NPC2 2/20 0.56
JAK2 O60674 1/20 0.55
MAPT P10636 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
PRKD3 O94806 1/20 0.49
ABL1 P00519 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCB P05771 1/20 0.49
PDGFRB P09619 1/20 0.49

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
SCHEMBL6798920 0.88 JAK2 (0.53) JAK2MAPTNPC1RAB9ANFKB1
SCHEMBL7829535 0.88 JAK2 (0.53) JAK2MAPTNPC1RAB9ANFKB1
SCHEMBL6796823 0.86 KMT2A (0.54) JAK2MAPTNPC1RAB9ANFKB1
SCHEMBL6798177 0.85 KMT2A (0.65) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL6798144 0.85 JAK2 (0.56) JAK2MAPTNPC1RAB9ANFKB1
SCHEMBL6795362 0.84 DHODH (0.52) JAK2MAPTNPC1RAB9ANFKB1
SCHEMBL6797523 0.84 MEN1 (0.63) JAK2MAPTNPC1RAB9ANFKB1
SCHEMBL6798921 0.84 MAPT (0.57) JAK2MAPTNPC1RAB9ANFKB1
SCHEMBL5797626 0.84 RAB9A (0.56) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL27362918 0.81 MAPT (0.56) JAK2MAPTNPC1RAB9ANFKB1

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 KCNK3 1881/4885KCNK9 1556/4885JAK2 891/4885

“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.