SCHEMBL6804094

SCHEMBL6804094

O=[N+]([O-])c1cccnc1Nc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.60
KDM4E B2RXH2 2/20 0.60
MITF O75030 1/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 1/20 0.56
HTT P42858 2/20 0.56
NOD2 Q9HC29 1/20 0.56
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRM5 P41594 1/20 0.48

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
SCHEMBL29695546 0.83 NPC1 (0.62) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL29744982 0.82 MEN1 (0.71) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL2177925 0.82 MAPT (0.69) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL4810409 0.82 MEN1 (0.71) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL4892092 0.82 MAPT (0.55) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL11714010 0.81 MEN1 (0.69) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL11554972 0.81 GRM5 (0.58) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3628262 0.80 MEN1 (0.51) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL4896581 0.80 KDM4E (0.52) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL11016312 0.79 MEN1 (0.63) MAPTNPC1RAB9AALDH1A1LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4195088-A ANTISECRETORY AGENTS, ANTIULCER AGENTS, ANOREXIGENIC AGENTS ROUSSEL UCLAF (FR) 1980-03-25 US claimed
EP-0006931-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO (4,5-b) PYRIDIN-2-ONE, PROCESS, APPLICATION, COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL-UCLAF (FR) 1980-01-23 EP claimed
WO-1979000206-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO(4,5-B)PYRIDIN-2-ONE,PROCESS,APPLICATION,COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL UCLAF (FR) 1979-04-19 WO claimed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
EP-2673269-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-18 EP disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
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
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
US-4195088-A ANTISECRETORY AGENTS, ANTIULCER AGENTS, ANOREXIGENIC AGENTS ROUSSEL UCLAF (FR) 1980-03-25 US disclosed
EP-0006931-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO (4,5-b) PYRIDIN-2-ONE, PROCESS, APPLICATION, COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL-UCLAF (FR) 1980-01-23 EP disclosed
WO-1979000206-A1 NEW SUBSTITUTED BY-PRODUCTS OF 1,3-DIHYDRO IMIDAZO(4,5-B)PYRIDIN-2-ONE,PROCESS,APPLICATION,COMPOSITIONS AND INTERMEDIATE COMPOUNDS OBTAINED ROUSSEL UCLAF (FR) 1979-04-19 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 MAPT 1752/4885NPC1 941/4885RAB9A 2082/4885

“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.