SCHEMBL6804890

SCHEMBL6804890

COC(=O)c1cc(NC(C)=O)cc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
TP53 P04637 2/20 0.42
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
LMNA P02545 2/20 0.40
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AKT1 P31749 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
STING1 Q86WV6 1/20 0.37
HPGD P15428 1/20 0.37
MCHR1 Q99705 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
SCHEMBL6797978 0.92 TP53 (0.41) GAATP53EGFRBTKITK
SCHEMBL6799003 0.89 PTPN11 (0.41) GAATP53EGFRBTKITK
Hydrochloric Acid SCHEMBL6804303 0.87 PDE4B (0.38) GAATP53EGFRBTKITK
SCHEMBL6796416 0.86 ALDH1A1 (0.46) TP53EGFRBTKITKLMNA
SCHEMBL6798795 0.86 EGFR (0.49) GAATP53EGFRBTKITK
SCHEMBL6948403 0.85 EGFR (0.48) GAATP53EGFRBTKITK
Hydrochloric Acid SCHEMBL6795949 0.85 EGFR (0.47) GAATP53EGFRBTKITK
SCHEMBL6797485 0.83 GAA (0.43) GAATP53EGFRBTKITK
SCHEMBL6798452 0.82 EGFR (0.48) GAATP53EGFRBTKITK
SCHEMBL6793249 0.82 GRM5 (0.44) TP53EGFRBTKITKLMNA

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 GAA 3522/4885TP53 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.