SCHEMBL6796593

SCHEMBL6796593

O=C(Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1)c1cccc(Oc2ncccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
BTK Q06187 1/20 0.48
ITK Q08881 1/20 0.48
LOXL2 Q9Y4K0 3/20 0.47
MAPT P10636 1/20 0.42
TP53 P04637 4/20 0.42
AKT1 P31749 2/20 0.42
LOX P28300 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
MET P08581 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
KDR P35968 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
POLB P06746 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
SCHEMBL6798268 0.93 EGFR (0.45) EGFRBTKITKLOXL2TP53
SCHEMBL6796777 0.90 EGFR (0.49) EGFRBTKITKMAPTTP53
SCHEMBL6792958 0.90 AKT1 (0.50) EGFRBTKITKMAPTTP53
SCHEMBL6798467 0.88 AKT1 (0.48) EGFRBTKITKMAPTTP53
SCHEMBL6801167 0.88 EGFR (0.49) EGFRBTKITKMAPTTP53
SCHEMBL6795616 0.87 MAPT (0.43) EGFRBTKITKMAPTAKT1
SCHEMBL6801992 0.86 EGFR (0.51) EGFRBTKITKMAPTTP53
SCHEMBL6793037 0.86 EGFR (0.48) EGFRBTKITKMAPTTP53
SCHEMBL6797148 0.85 EGFR (0.48) EGFRBTKITKMAPTTP53
SCHEMBL6803889 0.85 EGFR (0.48) EGFRBTKITKMAPTTP53

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
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 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.