SCHEMBL2806289

SCHEMBL2806289

CC(C)Oc1cc(CN)ccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.54
TAAR1 Q96RJ0 1/20 0.43
BACE1 P56817 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SLC28A2 O43868 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
HTR1A P08908 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
DPP4 P27487 1/20 0.37
TLR8 Q9NR97 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL2570486 0.82 CSNK2A1 (0.57) CSNK2A1TAAR1ALDH1A1HPGD
SCHEMBL2574287 0.81 CSNK2A1 (0.49) CSNK2A1TAAR1TP53MAPK1RAB9A
SCHEMBL27363979 0.79 CSNK2A1 (0.44) CSNK2A1TAAR1BACE1
SCHEMBL2573344 0.76 CSNK2A1 (0.54) CSNK2A1TAAR1
SCHEMBL27452173 0.76 ALOX5 (0.53) BACE1ALDH1A1HPGDS1PR1S1PR3
SCHEMBL3268188 0.74 ADRA2A (0.53) ALDH1A1HPGDTP53MAPK1RAB9A
SCHEMBL27508195 0.74 CSNK2A1 (0.69) CSNK2A1TAAR1BACE1CSNK2A2CSNK2B
SCHEMBL15711374 0.73 CSNK2A1 (0.65) CSNK2A1TAAR1ALDH1A1MAPK1
SCHEMBL26274400 0.73 CSNK2A1 (0.60) CSNK2A1TAAR1MAPK1
SCHEMBL2572842 0.73 CSNK2A1 (0.62) CSNK2A1TAAR1BACE1CSNK2A2CSNK2B

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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (2 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 CSNK2A1 3651/4885TAAR1 2821/4885BACE1 2870/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CSNK2A1 3567/4885TAAR1 2908/4885BACE1 3062/4885

“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.