SCHEMBL3450674

SCHEMBL3450674

O=C(O)/C=C/c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ULK1 O75385 1/20 0.35
SYK P43405 2/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
AURKA O14965 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL3450678 1.00 EGFR (0.37) EGFRXDHSLC22A12ULK1SYK
SCHEMBL3373204 0.92 EGFR (0.36) EGFRXDHSLC22A12ULK1SYK
SCHEMBL3373198 0.92 EGFR (0.36) EGFRXDHSLC22A12ULK1SYK
SCHEMBL3448630 0.92 MAPT (0.37) EGFRULK1SYKMAPTNPSR1
SCHEMBL3448633 0.92 MAPT (0.37) EGFRULK1SYKMAPTNPSR1
SCHEMBL3376106 0.89 ULK1 (0.38) EGFRULK1SYKMAPTNPSR1
SCHEMBL13312853 0.87 EGFR (0.38) EGFRXDHSLC22A12ULK1MAPK1
SCHEMBL3372082 0.87 XDH (0.40) EGFRXDHSLC22A12ULK1SYK
SCHEMBL3452042 0.85 FGFR1 (0.36) EGFRULK1SYKSTK17BSTK17A
SCHEMBL3452050 0.85 FGFR1 (0.36) EGFRULK1SYKSTK17BSTK17A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD EGFR 2771/4885XDH 39/4885SLC22A12 1529/4885

“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.