SCHEMBL17075840

SCHEMBL17075840

c1ccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.59
ERBB2 P04626 8/20 0.59
CLK4 Q9HAZ1 2/20 0.56
CHEK2 O96017 1/20 0.56
ROS1 P08922 1/20 0.56
FLT3 P36888 1/20 0.56
ERBB4 Q15303 1/20 0.56
AURKB Q96GD4 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
PI4KB Q9UBF8 1/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 1/20 0.55
AHR P35869 1/20 0.55
HTT P42858 1/20 0.55
PRMT5 O14744 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL4886091 0.94 EGFR (0.62) EGFRERBB2CLK4CHEK2ROS1
SCHEMBL17075865 0.88 EGFR (0.61) EGFRERBB2
SCHEMBL17075814 0.88 MAPK1 (0.63) EGFRCLK4PI4KBMAPK1MAPT
SCHEMBL4891690 0.84 MAPK1 (0.59) EGFRERBB2CLK4CHEK2ROS1
SCHEMBL14026142 0.84 MAPK1 (0.72) CLK4PI4KBMAPK1MAPTAHR
SCHEMBL4008515 0.81 MAPT (0.80) EGFRCLK4PI4KBMAPK1MAPT
SCHEMBL17075844 0.81 EGFR (0.72) EGFRERBB2
SCHEMBL17083341 0.81 EGFR (0.60) EGFRERBB2
SCHEMBL4892996 0.81 PI4KB (0.57) EGFRERBB2CLK4FLT3AURKB
SCHEMBL4791053 0.79 MAPT (0.61) EGFRCLK4AURKBPI4KBMAPK1

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-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 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-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO EGFR 4389/4885ERBB2 4468/4885CLK4 2554/4885

“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.