SCHEMBL6790872

SCHEMBL6790872

COC(=O)c1cccc(-c2cccc(Nc3ncccc3[N+](=O)[O-])c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
MAPK1 P28482 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ERN1 O75460 1/20 0.51
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
JAK2 O60674 1/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL6803111 0.93 MAPT (0.61) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL6798383 0.88 MAPT (0.50) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL8791433 0.85 MAPK1 (0.48) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL6797592 0.84 MAPT (0.63) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL6792229 0.83 MEN1 (0.59) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL6797863 0.83 MAPT (0.78) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL6797565 0.83 MAPT (0.78) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL6797321 0.82 MAPT (0.55) MAPTMAPK1NPC1RAB9ANFKB1
SCHEMBL6792401 0.82 ROCK1 (0.53) MAPTMAPK1MEN1KMT2AABL1
SCHEMBL6798921 0.82 MAPT (0.57) MAPTMAPK1NPC1RAB9ANFKB1

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 MAPT 4677/4885MAPK1 2643/4885NPC1 875/4885

“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.