SCHEMBL6797660

SCHEMBL6797660

COc1cccc(Nc2ncccc2[N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPK1 P28482 3/20 0.60
PKM P14618 3/20 0.60
HTT P42858 1/20 0.60
NPC1 O15118 4/20 0.56
MAPT P10636 7/20 0.56
ALDH1A1 P00352 3/20 0.54
NFKB1 P19838 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABCG2 Q9UNQ0 4/20 0.53
GRM4 Q14833 1/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL6792926 0.89 MEN1 (0.54) JAK2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL31157922 0.87 MEN1 (0.54) JAK2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL6799661 0.86 ABCG2 (0.52) JAK2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL2781396 0.85 NPC1 (0.67) MEN1KMT2AL3MBTL1MAPK1PKM
SCHEMBL13730771 0.84 MAPT (0.50) JAK2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL6797348 0.83 MAPT (0.54) JAK2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL6796759 0.83 MAPT (0.56) MEN1KMT2AL3MBTL1MAPK1NPC1
SCHEMBL7830242 0.81 MAPT (0.61) MEN1KMT2AL3MBTL1MAPK1PKM
SCHEMBL6799279 0.81 MAPT (0.58) MEN1KMT2AL3MBTL1MAPK1PKM
SCHEMBL27362918 0.80 MAPT (0.56) JAK2MEN1KMT2AL3MBTL1MAPK1

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
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
US-4698430-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INC. (US) 1987-10-06 US disclosed
US-4558132-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 US disclosed
EP-0099614-A2 Nitro, amino and aroylamino-N-phenylpyridinamines and their use in a process for preparing pyrido(1,4)benzodiazapines A.H. ROBINS COMPANY, INCORPORATED (US) 1984-02-01 EP 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 JAK2 891/4885MEN1 2703/4885KMT2A 968/4885

“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.