SCHEMBL18975952

SCHEMBL18975952

CC(=O)c1cc2c3c4c(ccc3n(CCCN(C)C)c2cc1O)C(O)CC4

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 7/20 0.39
MYLK Q15746 2/20 0.35
CNR2 P34972 1/20 0.35
CHEK1 O14757 4/20 0.35
SRC P12931 1/20 0.34
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
AVPR2 P30518 1/20 0.32

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
SCHEMBL2361050 0.81 TP53 (0.47) WEE1MYLKCNR2CHEK1SRC
SCHEMBL12608686 0.81 WEE1 (0.44) WEE1MYLKCNR2CHEK1SRC
SCHEMBL13637211 0.79 WEE1 (0.46) WEE1MYLKCNR2CHEK1SRC
SCHEMBL12608681 0.79 WEE1 (0.43) WEE1MYLKCNR2CHEK1SRC
SCHEMBL2360961 0.78 CNR2 (0.42) WEE1CNR2CHEK1SRCCHRM2
SCHEMBL18975619 0.74 WEE1 (0.39) WEE1MYLKCNR2CHEK1SRC
SCHEMBL18969217 0.74 WEE1 (0.37) WEE1MYLKCNR2CHEK1SRC
SCHEMBL12608693 0.73 CNR2 (0.39) WEE1CNR2CHEK1SRCCHRM2
SCHEMBL17297962 0.73 CNR2 (0.41) WEE1CNR2CHEK1SRCCHRM2
SCHEMBL15848959 0.72 TP53 (0.49) WEE1MYLKCNR2CHEK1SRC

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-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS INCURON, INC. 2017-06-15 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-20170165229-A1 CARBAZOLE COMPOUNDS AND THERAPEUTIC USES OF THE COMPOUNDS MALT1, PAICS, BCL9 WEE1 1071/4885MYLK 3163/4885CNR2 558/4885

“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.