SCHEMBL10319962

SCHEMBL10319962

Cc1ccc(C(=O)N[C@@H](CCN)c2ccccc2)cc1NC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.47
DYRK1B Q9Y463 5/20 0.47
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL10321621 1.00 DYRK1A (0.47) DYRK1ADYRK1BTAS1R3TAS1R1HDAC1
Trifluoroacetic Acid SCHEMBL10321622 0.83 TAS1R3 (0.45) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
Trifluoroacetic Acid SCHEMBL10319963 0.83 TAS1R3 (0.45) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
Trifluoroacetic Acid SCHEMBL10319961 0.81 DYRK1A (0.44) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
Trifluoroacetic Acid SCHEMBL10321620 0.81 DYRK1A (0.44) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
SCHEMBL10317811 0.80 TAS1R3 (0.50) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
SCHEMBL10318762 0.80 TAS1R3 (0.50) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
SCHEMBL10320709 0.80 TAS1R3 (0.50) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
SCHEMBL10318759 0.78 TAS1R3 (0.48) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2
SCHEMBL10317809 0.78 TAS1R3 (0.48) DYRK1ADYRK1BTAS1R3TAS1R1ROCK2

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 DYRK1A 2480/4885DYRK1B 3023/4885TAS1R3 4487/4885

“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.