SCHEMBL6803308

SCHEMBL6803308

O=[N+]([O-])c1cccnc1Nc1cccc(I)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
EGFR P00533 3/20 0.53
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KCNH2 Q12809 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
PDE10A Q9Y233 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7830242 0.84 MAPT (0.61) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6799279 0.84 MAPT (0.58) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL13515063 0.83 MAPT (0.56) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL30791403 0.83 EGFR (0.65) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6803611 0.83 MAPT (0.56) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6799629 0.83 MAPT (0.56) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL645368 0.83 EGFR (0.65) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6796759 0.83 MAPT (0.56) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6802809 0.83 MAPT (0.56) MAPTEGFRNPC1RAB9ANFKB1
SCHEMBL6797321 0.82 MAPT (0.55) MAPTEGFRNPC1RAB9ANFKB1

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 10 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
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN 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 4677/4885EGFR 419/4885NPC1 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.