SCHEMBL4769217

SCHEMBL4769217

COc1ccc(Nc2nc(Nc3ccc(OC)nc3OC)c3nc[nH]c3n2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.36
CLK2 P49760 1/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
DCLK1 O15075 1/20 0.33
RET P07949 1/20 0.33
PIK3CA P42336 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ROS1 P08922 1/20 0.32
ALK Q9UM73 1/20 0.32
ULK1 O75385 2/20 0.31
POLA1 P09884 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL4769111 0.84 TTK (0.41) TTKLRRK2
SCHEMBL4769150 0.81 ADORA3 (0.46) RET
SCHEMBL13177946 0.80 TTK (0.35) TTK
SCHEMBL4769252 0.77 TTK (0.37) TTKCLK2ALDH1A1LRRK2
SCHEMBL28609552 0.67 LRRK2 (0.40) DCLK1RETLRRK2
SCHEMBL7110003 0.66 NPY5R (0.48) MAPTLRRK2
SCHEMBL2061079 0.66 MAPT (0.44) MAPTMAPK1ROS1ALKULK1
SCHEMBL17980578 0.66 LRRK2 (0.36) TTKCLK2MAPTDCLK1RET
SCHEMBL4766022 0.66 TTK (0.52) TTKCLK2MAPT
SCHEMBL459413 0.65 IGF1R (0.51) MAPTMAPK1ROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 TTK 4589/4885CLK2 2733/4885MAPT 1115/4885

“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.