SCHEMBL18918892

SCHEMBL18918892

CONC(=O)c1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.57
CDK8 P49336 5/20 0.51
KIT P10721 6/20 0.48
MAP4K4 O95819 2/20 0.48
CHEK2 O96017 2/20 0.48
CDK1 P06493 2/20 0.48
FES P07332 2/20 0.48
ROS1 P08922 2/20 0.48
FER P16591 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48
IRAK1 P51617 2/20 0.48
ROCK1 Q13464 2/20 0.48
PKN2 Q16513 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
MINK1 Q8N4C8 2/20 0.48
AURKB Q96GD4 2/20 0.48
SLK Q9H2G2 2/20 0.48
MKNK2 Q9HBH9 2/20 0.48
STK17A Q9UEE5 2/20 0.48

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
SCHEMBL18918861 0.83 ULK1 (0.51) ULK1CDK8KITMAP4K4CHEK2
SCHEMBL30469325 0.79 ULK1 (0.67) ULK1CDK8KITAXLNEK1
SCHEMBL17336876 0.78 HDAC8 (0.64)
SCHEMBL31447630 0.77 ULK1 (0.71) ULK1KITAXL
SCHEMBL30469323 0.76 KIT (0.72) ULK1CDK8KITCHEK2CDK1
SCHEMBL15824749 0.76 KIT (0.65) KITMAP4K4CDK1FLT4IRAK1
SCHEMBL1778117 0.76 HDAC6 (0.53) ULK1CDK8KITCDK1AXL
SCHEMBL18918718 0.76 PLK4 (0.53) ULK1CDK8MAP4K4ROS1FLT4
SCHEMBL18932419 0.75 PLK4 (0.52) ULK1MAP4K4ROS1FLT4KDR
SCHEMBL18943990 0.74 PLK4 (0.54) ULK1MAP4K4ROS1FLT4KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US claimed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US claimed
EP-3386980-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-10-13 EP disclosed
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 ULK1 495/4885CDK8 54/4885KIT 1525/4885

“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.