SCHEMBL6797978

SCHEMBL6797978

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
EGFR P00533 2/20 0.40
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE4B Q07343 3/20 0.39
USP2 O75604 2/20 0.39
PDE4D Q08499 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38

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
Hydrochloric Acid SCHEMBL6804303 0.93 PDE4B (0.38) TP53GAAEGFRBTKITK
SCHEMBL6796416 0.93 ALDH1A1 (0.46) TP53EGFRBTKITKALDH1A1
SCHEMBL6804890 0.92 GAA (0.42) TP53GAAEGFRBTKITK
SCHEMBL6797485 0.91 GAA (0.43) TP53GAAEGFRBTKITK
SCHEMBL6948403 0.88 EGFR (0.48) TP53GAAEGFRBTKITK
SCHEMBL6793249 0.88 GRM5 (0.44) TP53EGFRBTKITKALDH1A1
Hydrochloric Acid SCHEMBL6795949 0.88 EGFR (0.47) TP53GAAEGFRBTKITK
SCHEMBL6799003 0.87 PTPN11 (0.41) TP53GAAEGFRBTKITK
SCHEMBL6799395 0.84 PDE4A (0.50) TP53EGFRBTKITKALDH1A1
SCHEMBL7490991 0.83 EGFR (0.40) TP53EGFRBTKITKALDH1A1

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 TP53 3947/4885GAA 3522/4885EGFR 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.