SCHEMBL500930

SCHEMBL500930

FC(F)(F)c1ccnc2cc(I)ccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
GAK O14976 2/20 0.40
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
BACE1 P56817 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
SLC40A1 Q9NP59 2/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2C Q14957 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NR4A2 P43354 1/20 0.33
SOS2 Q07890 1/20 0.33
PARP1 P09874 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
GRM4 Q14833 1/20 0.32
RPS6KA5 O75582 1/20 0.31

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
SCHEMBL24363277 0.79 ALK (0.46) ARGAKADRB2NCF1BACE1
SCHEMBL500022 0.79 GAA (0.46) ARADRB2NCF1BACE1NR4A2
SCHEMBL4374398 0.79 TLR8 (0.44) ARADRB2NCF1BACE1GRIN3B
SCHEMBL669631 0.79 NR4A2 (0.56) ADRB2NCF1SLC40A1NR4A2SOS2
SCHEMBL30224635 0.79 ALK (0.46) ARGAKADRB2NCF1BACE1
SCHEMBL13632508 0.76 GAK (0.42) GAKCCNCCDK8NR4A2SOS2
SCHEMBL18544879 0.75 GAK (0.44) GAKCCNCCDK8NR4A2SOS2
SCHEMBL6033548 0.75 HTR1A (0.54) ARGAKGRM4
SCHEMBL10038578 0.74 ALDH1A1 (0.49) ARBACE1
Iodide SCHEMBL11565912 0.73 GAK (0.43) GAKCCNCCDK8NR4A2SOS2

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-8106206-B2 Solid luminescent quinoline compounds KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2012-01-31 US disclosed
US-20110263861-A1 QUINOLINE COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2011-10-27 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-20110263861-A1 QUINOLINE COMPOUND GTF3C3, GTF3C2, GTF3C1 AR 2668/4885GAK 2532/4885ADRB2 404/4885

“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.