SCHEMBL3449779

SCHEMBL3449779

O=C(O)C=Cc1cccc(-c2cnc(Nc3ccc4c(c3)OCO4)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 6/20 0.44
TRPV1 Q8NER1 2/20 0.40
AXL P30530 1/20 0.39
JUN P05412 1/20 0.39
MAPK10 P53779 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
BTK Q06187 2/20 0.38
EGFR P00533 2/20 0.37
FLT3 P36888 2/20 0.37
CHEK1 O14757 1/20 0.37
GSK3B P49841 2/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 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
SCHEMBL3449774 1.00 ULK1 (0.44) ULK1TRPV1AXLJUNMAPK10
SCHEMBL13311800 0.90 ULK1 (0.40) ULK1TRPV1AXLJUNMAPK10
SCHEMBL3448740 0.87 ULK1 (0.43) ULK1TRPV1AXLJUNMAPK10
SCHEMBL3448745 0.87 ULK1 (0.43) ULK1TRPV1AXLJUNMAPK10
SCHEMBL3448099 0.86 MAOB (0.40) FYN
SCHEMBL3448101 0.86 MAOB (0.40) FYN
SCHEMBL3449645 0.86 PTK2 (0.40) ULK1AXLBTKEGFRFYN
SCHEMBL3449647 0.86 PTK2 (0.40) ULK1AXLBTKEGFRFYN
SCHEMBL3451237 0.86 SYK (0.41) ALDH1A1TYRO3
SCHEMBL3451242 0.86 SYK (0.41) ALDH1A1TYRO3

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 1 patent. 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

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 ULK1 2054/4885TRPV1 1016/4885AXL 2812/4885

“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.