SCHEMBL10320708

SCHEMBL10320708

Cc1ccc(C(=O)N[C@H](CCN)c2ccccc2)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
DYRK1A Q13627 7/20 0.47
DYRK1B Q9Y463 6/20 0.47
ROCK1 Q13464 3/20 0.47
ROCK2 O75116 2/20 0.47
APLNR P35414 1/20 0.45
RPS6KA5 O75582 2/20 0.44
AKT1 P31749 2/20 0.44
GSK3B P49841 2/20 0.44
NEK4 P51957 2/20 0.44
PRKCD Q05655 2/20 0.44
PRKG2 Q13237 2/20 0.44
PRKG1 Q13976 2/20 0.44
PKN2 Q16513 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MAPK13 O15264 1/20 0.44
DYRK3 O43781 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL10318759 1.00 TAS1R3 (0.48) TAS1R3TAS1R1DYRK1ADYRK1BROCK1
SCHEMBL10317809 1.00 TAS1R3 (0.48) TAS1R3TAS1R1DYRK1ADYRK1BROCK1
Trifluoroacetic Acid SCHEMBL10319961 0.94 DYRK1A (0.44) TAS1R3TAS1R1DYRK1ADYRK1BROCK1
Trifluoroacetic Acid SCHEMBL10321620 0.94 DYRK1A (0.44) TAS1R3TAS1R1DYRK1ADYRK1BROCK1
SCHEMBL10318420 0.90 ROCK1 (0.56) TAS1R3TAS1R1DYRK1ADYRK1BROCK1
SCHEMBL10322647 0.88 DYRK1A (0.48) DYRK1ADYRK1BROCK1ROCK2APLNR
SCHEMBL10321530 0.86 DYRK1A (0.51) DYRK1ADYRK1B
SCHEMBL10317811 0.85 TAS1R3 (0.50) TAS1R3TAS1R1DYRK1ADYRK1BROCK1
SCHEMBL10318762 0.85 TAS1R3 (0.50) TAS1R3TAS1R1DYRK1ADYRK1BROCK1
SCHEMBL10320709 0.85 TAS1R3 (0.50) TAS1R3TAS1R1DYRK1ADYRK1BROCK1

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 4348/4885DYRK1A 2480/4885

“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.