SCHEMBL10320709

SCHEMBL10320709

Cc1ccc(C(=O)N[C@H](CCN)c2ccccc2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
ROCK1 Q13464 4/20 0.48
ROCK2 O75116 2/20 0.48
DYRK1A Q13627 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
GSK3B P49841 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
RPS6KA5 O75582 2/20 0.45
AKT1 P31749 2/20 0.45
NEK4 P51957 2/20 0.45
PRKCD Q05655 2/20 0.45
PRKG2 Q13237 2/20 0.45
PRKG1 Q13976 2/20 0.45
PKN2 Q16513 2/20 0.45
GSK3A P49840 2/20 0.45
PRKCQ Q04759 2/20 0.45
MAPK13 O15264 1/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL10318762 1.00 TAS1R3 (0.50) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
SCHEMBL10317811 1.00 TAS1R3 (0.50) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
Trifluoroacetic Acid SCHEMBL10319963 0.93 TAS1R3 (0.45) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
Trifluoroacetic Acid SCHEMBL10321622 0.93 TAS1R3 (0.45) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
SCHEMBL10318421 0.90 ROCK1 (0.58) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
SCHEMBL10322648 0.87 DYRK1A (0.47) ROCK1ROCK2DYRK1ADYRK1BMAPK1
SCHEMBL10317809 0.85 TAS1R3 (0.48) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
SCHEMBL10318759 0.85 TAS1R3 (0.48) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
SCHEMBL10320708 0.85 TAS1R3 (0.48) TAS1R3TAS1R1ROCK1ROCK2DYRK1A
SCHEMBL10321531 0.85 DYRK1A (0.51) DYRK1ADYRK1BKDM4EGAA

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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US claimed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA TAS1R3 4487/4885TAS1R1 4348/4885ROCK1 4062/4885

“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.