SCHEMBL6798920

SCHEMBL6798920

O=C(Nc1cccc(Nc2ncccc2[N+](=O)[O-])c1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 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
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
AURKB Q96GD4 1/20 0.47
KDR P35968 1/20 0.47
BLK P51451 1/20 0.46
BTK Q06187 1/20 0.46
ENPP2 Q13822 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6796875 0.88 KCNK3 (0.56) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL6798144 0.87 JAK2 (0.56) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL6798456 0.86 PTPN11 (0.52) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL7829535 0.83 JAK2 (0.53) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL6799252 0.83 MEN1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6797852 0.80 MAPT (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6795362 0.80 DHODH (0.52) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL6797523 0.80 MEN1 (0.63) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL6798921 0.78 MAPT (0.57) JAK2NPC1RAB9AMEN1KMT2A
SCHEMBL6803869 0.78 TLR4 (0.48) NPC1RAB9AMEN1KMT2AMAPT

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 JAK2 891/4885NPC1 875/4885RAB9A 1092/4885

“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.