SCHEMBL6796817

SCHEMBL6796817

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-n2c(=O)c(Cc3ccccc3)nc3cccnc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
BTK Q06187 1/20 0.48
ITK Q08881 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
PPIA P62937 2/20 0.46
KDR P35968 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
P2RY1 P47900 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
EPHB4 P54760 2/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL6794031 0.92 EGFR (0.51) EGFRBTKITKTP53POLB
SCHEMBL6802886 0.91 EGFR (0.49) EGFRBTKITKTP53MEN1
SCHEMBL6799814 0.87 EGFR (0.63) EGFRBTKITKTP53POLB
SCHEMBL6792521 0.87 EGFR (0.49) EGFRBTKITKTP53POLB
SCHEMBL6792413 0.86 MAPT (0.56) EGFRBTKITKTP53POLB
SCHEMBL6791969 0.86 EGFR (0.52) EGFRBTKITKTP53MEN1
SCHEMBL6796699 0.86 HTR1A (0.49) EGFRBTKITKTP53POLB
SCHEMBL6798680 0.86 KDR (0.48) EGFRBTKITKTP53PPIA
SCHEMBL6797815 0.85 KDR (0.49) EGFRBTKITKTP53KDR
SCHEMBL6792958 0.85 AKT1 (0.50) EGFRBTKITKTP53POLB

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 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.