SCHEMBL6795465

SCHEMBL6795465

O=C(CCc1ccccc1)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
TP53 P04637 3/20 0.54
EGFR P00533 1/20 0.49
BTK Q06187 1/20 0.49
ITK Q08881 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
PARP1 P09874 1/20 0.44
HTT P42858 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
AKT3 Q9Y243 1/20 0.43
ENPP2 Q13822 1/20 0.42

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
SCHEMBL6793474 0.90 EGFR (0.51) MAPTTP53EGFRBTKITK
SCHEMBL6794031 0.89 EGFR (0.51) MAPTTP53EGFRBTKITK
SCHEMBL6801055 0.88 EGFR (0.51) MAPTTP53EGFRBTKITK
SCHEMBL6797247 0.88 EGFR (0.53) MAPTTP53EGFRBTKITK
SCHEMBL6792958 0.87 AKT1 (0.50) MAPTTP53EGFRBTKITK
SCHEMBL6797047 0.86 EGFR (0.49) MAPTTP53EGFRBTKITK
SCHEMBL6797815 0.85 KDR (0.49) MAPTTP53EGFRBTKITK
SCHEMBL6802886 0.85 EGFR (0.49) MAPTTP53EGFRBTKITK
SCHEMBL6796777 0.85 EGFR (0.49) MAPTTP53EGFRBTKITK
SCHEMBL6797838 0.85 NR1I2 (0.49) MAPTTP53EGFRBTKITK

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 7 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

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 MAPT 4677/4885TP53 3947/4885EGFR 419/4885

“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.