SCHEMBL6795362

SCHEMBL6795362

O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(Nc2ncccc2[N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
JAK2 O60674 1/20 0.49
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HTT P42858 1/20 0.47
ALOX5 P09917 1/20 0.46
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
AURKB Q96GD4 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7829535 0.90 JAK2 (0.53) DHODHJAK2MAPTNPC1RAB9A
SCHEMBL6796875 0.84 KCNK3 (0.56) JAK2MAPTNPC1RAB9AMAPK1
SCHEMBL6802809 0.83 MAPT (0.56) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL6798734 0.82 GRM4 (0.55) MAPTNPC1RAB9AHTTKMT2A
SCHEMBL6798177 0.82 KMT2A (0.65) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL6798921 0.81 MAPT (0.57) JAK2MAPTNPC1RAB9AMAPK1
SCHEMBL6798920 0.80 JAK2 (0.53) JAK2MAPTNPC1RAB9AMAPK1
SCHEMBL6796823 0.80 KMT2A (0.54) DHODHJAK2MAPTNPC1RAB9A
SCHEMBL7829536 0.78 HTT (0.54) MAPTNPC1RAB9AMAPK1NFKB1
SCHEMBL6797900 0.77 MAPT (0.51) MAPTNPC1RAB9AMAPK1NFKB1

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 DHODH 1717/4885JAK2 891/4885MAPT 4677/4885

“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.