SCHEMBL6795759

SCHEMBL6795759

O=C(Nc1cccc(-c2cccc(-n3c(=O)c(Cc4cccnc4)nc4cccnc43)c2)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
BTK Q06187 2/20 0.42
ITK Q08881 1/20 0.42
MAPT P10636 4/20 0.42
EPHB4 P54760 1/20 0.40
TP53 P04637 2/20 0.39
PARP1 P09874 1/20 0.39
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
AKT1 P31749 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
APAF1 O14727 1/20 0.36
PABPC1 P11940 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGIR P43119 1/20 0.36

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
SCHEMBL6801778 0.89 EGFR (0.45) EGFRBTKITKTP53AKT1
SCHEMBL6798942 0.89 EGFR (0.46) EGFRBTKITKMAPTEPHB4
SCHEMBL6801892 0.89 EGFR (0.44) EGFRBTKITKMAPTEPHB4
SCHEMBL6804831 0.88 NPC1 (0.44) EGFRBTKITKMAPTTP53
Hydrochloric Acid SCHEMBL6796872 0.87 EGFR (0.43) EGFRBTKITKMAPTEPHB4
SCHEMBL6795912 0.86 EGFR (0.43) EGFRBTKITKMAPTTP53
Hydrochloric Acid SCHEMBL6795614 0.86 JAK2 (0.44) EGFRBTKITKMAPTTP53
Hydrochloric Acid SCHEMBL6791483 0.86 AKT1 (0.46) EGFRBTKITKMAPTTP53
SCHEMBL6792261 0.86 EGFR (0.43) EGFRBTKITKPDE4BFGFR3
SCHEMBL6796159 0.85 RAB9A (0.49) EGFRBTKITKMAPTAKT1

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.