SCHEMBL6802809

SCHEMBL6802809

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
NPC1 O15118 5/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
EGFR P00533 3/20 0.53
ALDH1A1 P00352 3/20 0.50
GSK3B P49841 1/20 0.50
GRM4 Q14833 1/20 0.50
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
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KCNH2 Q12809 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FADS1 O60427 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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) MAPTNPC1EGFRALDH1A1RAB9A
SCHEMBL6799279 0.84 MAPT (0.58) MAPTNPC1EGFRALDH1A1GSK3B
SCHEMBL10815946 0.84 MAPT (0.68) MAPTNPC1ALDH1A1RAB9ANFKB1
SCHEMBL6799629 0.83 MAPT (0.56) MAPTNPC1EGFRALDH1A1GRM4
SCHEMBL6803611 0.83 MAPT (0.56) MAPTNPC1HTTEGFRALDH1A1
SCHEMBL13515063 0.83 MAPT (0.56) MAPTNPC1EGFRALDH1A1RAB9A
SCHEMBL6796759 0.83 MAPT (0.56) MAPTNPC1HPGDEGFRALDH1A1
SCHEMBL30791403 0.83 EGFR (0.65) MAPTNPC1EGFRALDH1A1RAB9A
SCHEMBL6803308 0.83 MAPT (0.56) MAPTNPC1EGFRALDH1A1RAB9A
SCHEMBL645368 0.83 EGFR (0.65) MAPTNPC1EGFRALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815832-B2 Azabenzimidazole compounds PFIZER INC. (US) 2017-11-14 US disclosed
EP-2958915-B1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER (US) 2017-07-05 EP disclosed
CN-105121439-A Azabenzimidazole compounds as inhibitors of pde4 isozymes for the treatment of cns and other disorders PFIZER 2015-12-02 CN disclosed
US-20150322065-A1 Azabenzimidazole Compounds PFIZER (US) 2015-11-12 US disclosed
US-9120788-B2 Azabenzimidazole compounds PFIZER INC. (US) 2015-09-01 US disclosed
US-20140235612-A1 Azabenzimidazole Compounds PFIZER (US) 2014-08-21 US disclosed
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
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
CN-103476767-A Heterocyclic compounds as PI3 kinase inhibitors HOFFMANN LA ROCHE 2013-12-25 CN 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
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-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN 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
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 (3 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-20150322065-A1 Azabenzimidazole Compounds AZI2, HDAC6, ABL1 MAPT 4007/4885NPC1 592/4885HPGD 2541/4885
US-20140235612-A1 Azabenzimidazole Compounds AZI2, HDAC6, ABL1 MAPT 4007/4885NPC1 592/4885HPGD 2541/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 MAPT 4677/4885NPC1 875/4885HPGD 2360/4885

“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.