SCHEMBL6797690

SCHEMBL6797690

CC(=O)Nc1ccc(-c2cccc(-n3c(=O)c(Cc4ccccc4)nc4cccnc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
BTK Q06187 1/20 0.46
ITK Q08881 1/20 0.46
AKT1 P31749 5/20 0.45
MAPT P10636 4/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP17A1 P05093 1/20 0.42
AKT2 P31751 3/20 0.41
AKT3 Q9Y243 3/20 0.41
PTGIR P43119 2/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6800418 0.92 AKT1 (0.43) EGFRBTKITKAKT1MAPT
SCHEMBL6803736 0.90 AKT1 (0.49) EGFRBTKITKAKT1MAPT
SCHEMBL6797247 0.90 EGFR (0.53) EGFRBTKITKAKT1MAPT
SCHEMBL6798463 0.88 ALDH1A1 (0.45) EGFRBTKITKAKT1MAPT
SCHEMBL6798192 0.86 MEN1 (0.47) EGFRBTKITKAKT1MAPT
SCHEMBL6801778 0.86 EGFR (0.45) EGFRBTKITKAKT1CYP11B1
SCHEMBL6798099 0.86 EGFR (0.44) EGFRBTKITKAKT1MAPT
SCHEMBL6800010 0.86 EGFR (0.41) EGFRBTKITKAKT1MAPT
SCHEMBL6794123 0.84 AKT1 (0.44) EGFRBTKITKAKT1MAPT
SCHEMBL6797148 0.84 EGFR (0.48) EGFRBTKITKAKT1MAPT

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 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.