SCHEMBL2289585

SCHEMBL2289585

C=C(C)c1ccc2nc(O)n(CCCCC)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.36
DYRK1A Q13627 3/20 0.36
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.33
GRK6 P43250 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 3/20 0.33
SAE1 Q9UBE0 2/20 0.33
UBA2 Q9UBT2 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CNR2 P34972 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
SCHEMBL4111040 0.81 DYRK1A (0.41) TLR8DYRK1ACDK9ALDH1A1HTT
SCHEMBL4105471 0.81 GRK6 (0.48) TLR8ALDH1A1HTTKDM4EGRK6
SCHEMBL2286012 0.80 TLR8 (0.43) TLR8DYRK1ACDK9ALDH1A1HTT
SCHEMBL2286831 0.79 TLR8 (0.39) TLR8DYRK1ACDK9ALDH1A1HTT
SCHEMBL2292965 0.79 TLR8 (0.39) TLR8DYRK1ACDK9ALDH1A1HTT
SCHEMBL4110513 0.79 DYRK1A (0.43) TLR8DYRK1ACDK9ALDH1A1HTT
SCHEMBL2286837 0.78 TLR8 (0.36) TLR8DYRK1ACDK9ALDH1A1HTT
SCHEMBL977397 0.77 TLR8 (0.33) TLR8ALDH1A1KDM4EGLAGAA
SCHEMBL4117124 0.77 TLR8 (0.38) TLR8DYRK1ACDK9ALDH1A1HTT
SCHEMBL4110190 0.76 ALDH1A1 (0.43) TLR8DYRK1ACDK9ALDH1A1HTT

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-7998976-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2011-08-16 US claimed
US-20090247571-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INCORPORATED 2009-10-01 US claimed

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-20090247571-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 TLR8 4865/4885DYRK1A 3439/4885CDK9 2231/4885

“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.