SCHEMBL6794080

SCHEMBL6794080

O=c1c(Cc2ccccc2[N+](=O)[O-])nc2cccnc2n1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
TOP1 P11387 1/20 0.38
MET P08581 1/20 0.37
AR P10275 1/20 0.37
FGFR1 P11362 1/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE4A P27815 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AKT1 P31749 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6798424 0.91 MET (0.42) CES2METARFGFR1ALDH1A1
SCHEMBL6798463 0.83 ALDH1A1 (0.45) ALDH1A1PDE10APDE4AMEN1KMT2A
SCHEMBL6805376 0.80 PDE10A (0.42) ALDH1A1PDE10APDE4AMEN1KMT2A
SCHEMBL6798163 0.79 MAPT (0.45) ALDH1A1PDE10APDE4AMEN1KMT2A
SCHEMBL6801649 0.79 PDE4A (0.51) TOP1FGFR1ALDH1A1POLBPDE4A
SCHEMBL6797019 0.79 MAPT (0.48) ALDH1A1PDE10APDE4AMEN1KMT2A
SCHEMBL6797537 0.79 ALDH1A1 (0.44) ALDH1A1POLBPDE10APDE4AMEN1
SCHEMBL6797611 0.78 PIK3R2 (0.41) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL6794123 0.78 AKT1 (0.44) ALDH1A1PDE10APDE4AMEN1KMT2A
SCHEMBL6793970 0.78 MAPT (0.48) ALDH1A1PDE10APDE4AMEN1KMT2A

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 4 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

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 CES2 437/4885TOP1 1601/4885MET 1088/4885

“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.