SCHEMBL18157069

SCHEMBL18157069

CNc1ccc(C)c2c1C(=O)c1c(C)ccc(Nc3ccc(NC)c4c3C(=O)c3c(NC)ccc(N)c3C4=O)c1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MMP14 P50281 1/20 0.36
ADORA2A P29274 3/20 0.36
CSNK1A1 P48729 2/20 0.36
CSNK1D P48730 2/20 0.36
CSNK1G1 Q9HCP0 2/20 0.36
FGR P09769 1/20 0.36
PIM1 P11309 1/20 0.36
MAOA P21397 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
NQO1 P15559 1/20 0.35
POR P16435 1/20 0.35
MET P08581 2/20 0.34

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
SCHEMBL18157068 0.91 NQO1 (0.40) THRBMEN1KMT2ANQO1POR
SCHEMBL31589972 0.88 THRB (0.61) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL4162091 0.82 ADORA2A (0.61) THRBMEN1KMT2AMMP14ADORA2A
SCHEMBL14750382 0.80 THRB (0.74) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL14839396 0.80 THRB (0.74) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL13346032 0.79 P2RY2 (0.50) THRBMEN1KMT2AMMP14MET
SCHEMBL30481067 0.78 CSNK2A2 (0.69) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10811263 0.78 CSNK2A2 (0.69) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10809336 0.78 CSNK2A2 (0.69) THRBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL525766 0.76 ADORA2A (0.68) THRBMEN1KMT2AMMP14ADORA2A

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-20160308213-A1 Quinone Compound-Graphene Composite Material, Preparation Method Thereof, and Flexible Lithium Secondary Battery HUAWEI TECHNOLOGIES CO., LTD. (CN) 2016-10-20 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-20160308213-A1 Quinone Compound-Graphene Composite Material, Preparation Method Thereof, and Flexible Lithium Secondary Battery NQO1, NDUFA9, SDHB THRB 4610/4885CSNK2A2 2357/4885CSNK2B 2065/4885

“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.