SCHEMBL18237666

SCHEMBL18237666

CC(C)c1ccc2c(n1)C(=O)NCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.41
PARP1 P09874 8/20 0.41
PARP11 Q9NR21 6/20 0.39
PDPK1 O15530 1/20 0.39
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PIM1 P11309 2/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
IRAK1 P51617 1/20 0.33
MAPK12 P53778 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PRKAA1 Q13131 1/20 0.33

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
SCHEMBL29338632 0.83 PARP1 (0.38) PARP1GSK3BCLK4
SCHEMBL10272538 0.78 PARP10 (0.49) PARP10PARP1PARP11PDPK1F7
SCHEMBL12572838 0.76 CXCR4 (0.34) PARP10PARP1GFER
SCHEMBL25217173 0.75 PARP10 (0.49) PARP10PARP1PARP11PDPK1F7
SCHEMBL29363791 0.75 PARP10 (0.49) PARP10PARP1PARP11PDPK1F7
SCHEMBL18237665 0.74 GRM5 (0.43) PARP10PARP1PARP11PDPK1PIM1
SCHEMBL19131794 0.73 MAOA (0.35)
SCHEMBL30001963 0.73 MAOA (0.35)
SCHEMBL28532772 0.72 HRH1 (0.39)
SCHEMBL14107440 0.71 PARP10 (0.49) PARP10PARP1PARP11PDPK1F7

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-9931407-B2 Silicon based drug conjugates and methods of using same BLINKBIO, INC. (US) 2018-04-03 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
WO-2016183359-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. (US) 2016-11-17 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT PARP10 3647/4885PARP1 2195/4885PARP11 3284/4885

“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.