SCHEMBL6798930

SCHEMBL6798930

O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
LIMK2 P53671 3/20 0.44
EGFR P00533 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
HTR6 P50406 6/20 0.42
PARP1 P09874 1/20 0.42
AKT1 P31749 1/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
G6PD P11413 1/20 0.39
NFKBIA P25963 1/20 0.39
AGTR1 P30556 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL6794229 0.89 GLO1 (0.44) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6798719 0.88 EGFR (0.47) EGFRBTKITKAKT1MAPT
SCHEMBL6797876 0.86 EGFR (0.48) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6805022 0.85 EGFR (0.51) PDE4APDE4BPDE4CPDE4DEGFR
Hydrochloric Acid SCHEMBL6803685 0.84 NAMPT (0.40) PDE4BPDE4DEGFRBTKITK
SCHEMBL6794031 0.83 EGFR (0.51) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6801055 0.82 EGFR (0.51) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6797247 0.82 EGFR (0.53) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6797047 0.82 EGFR (0.49) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6798166 0.81 ALDH1A1 (0.54) PDE4APDE4BPDE4CPDE4DAKT1

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 6 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
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 PDE4A 4399/4885PDE4B 3918/4885PDE4C 4559/4885

“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.