SCHEMBL18932425

SCHEMBL18932425

C[C@H]1CCN(C(=O)c2cc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)ccn2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.44
BRD4 O60885 1/20 0.42
FGFR3 P22607 1/20 0.42
TP53BP1 Q12888 3/20 0.41
KIT P10721 4/20 0.41
RIPK1 Q13546 5/20 0.40
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM5A P29375 1/20 0.39

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
SCHEMBL18932420 0.94 ULK1 (0.46) ULK1BRD4FGFR3KITRIPK1
SCHEMBL18918872 0.90 ULK1 (0.45) ULK1BRD4FGFR3TP53BP1KIT
SCHEMBL18944169 0.90 FGFR3 (0.46) ULK1BRD4FGFR3TP53BP1KIT
SCHEMBL18932418 0.88 PLK4 (0.51) ULK1BRD4RIPK1ALDH1A1HPGD
SCHEMBL18918931 0.88 ULK1 (0.46) ULK1BRD4FGFR3KITRIPK1
SCHEMBL18944167 0.88 ULK1 (0.46) ULK1BRD4FGFR3KITRIPK1
SCHEMBL18932424 0.86 PIN1 (0.46) ULK1BRD4KITKDM4EALDH1A1
SCHEMBL18932410 0.86 ULK1 (0.47) ULK1BRD4TP53BP1KITRIPK1
SCHEMBL18944113 0.86 ULK1 (0.47) ULK1BRD4TP53BP1KITRIPK1
SCHEMBL18932419 0.82 PLK4 (0.52) ULK1BRD4RIPK1ALDH1A1HPGD

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-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 495/4885BRD4 1388/4885FGFR3 393/4885

“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.