SCHEMBL6797632

SCHEMBL6797632

CC(=O)Oc1ccc(Cc2nc3cccnc3n(-c3cccc(-c4ccccc4)c3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
TP53 P04637 3/20 0.41
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6799421 0.90 EGFR (0.46) EGFRBTKITKTP53AKT1
SCHEMBL6798463 0.87 ALDH1A1 (0.45) EGFRBTKITKAKT1ALDH1A1
SCHEMBL6797537 0.86 ALDH1A1 (0.44) EGFRBTKITKAKT1ALDH1A1
SCHEMBL6798049 0.84 EGFR (0.51) EGFRBTKITKTP53AKT1
SCHEMBL6798192 0.83 MEN1 (0.47) EGFRBTKITKTP53AKT1
SCHEMBL6798099 0.83 EGFR (0.44) EGFRBTKITKTP53AKT1
SCHEMBL6797690 0.83 EGFR (0.46) EGFRBTKITKTP53AKT1
SCHEMBL6798163 0.83 MAPT (0.45) EGFRBTKITKAKT1ALDH1A1
SCHEMBL6794123 0.81 AKT1 (0.44) EGFRBTKITKAKT1ALDH1A1
SCHEMBL6803940 0.80 MAPT (0.51) EGFRBTKITKAKT1ALDH1A1

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 5 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

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 EGFR 419/4885BTK 2100/4885ITK 4538/4885

“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.