Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3616010

N#Cc1cc(-c2ccnc(-c3ccc(C(=O)NCC(F)(F)F)cc3)c2)[nH]c1N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.41
ULK1 O75385 4/20 0.41
CDC7 O00311 1/20 0.39
PIM1 P11309 1/20 0.39
CDK9 P50750 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PREP P48147 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.37
PRKD1 Q15139 1/20 0.36
AR P10275 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL13408133 0.97 ULK1 (0.43) MAPKAPK2ULK1CDC7PIM1CDK9
Trifluoroacetic Acid SCHEMBL3620145 0.86 MAPKAPK2 (0.52) MAPKAPK2CDC7PIM1CDK9EGLN1
Trifluoroacetic Acid SCHEMBL3620664 0.85 CCNC (0.44) MAPKAPK2CDC7PIM1CDK9CCNC
SCHEMBL3611086 0.85 MAPKAPK2 (0.45) MAPKAPK2ULK1CCNCCDK8PRKD1
Trifluoroacetic Acid SCHEMBL3619263 0.85 ALDH1A1 (0.44) MAPKAPK2CDC7PIM1CDK9HRH4
Trifluoroacetic Acid SCHEMBL3618631 0.84 PRKD1 (0.44) MAPKAPK2CDC7PIM1CDK9PREP
Trifluoroacetic Acid SCHEMBL3614592 0.83 PIM1 (0.39) MAPKAPK2CDC7PIM1CDK9HRH4
Trifluoroacetic Acid SCHEMBL3616676 0.82 MAPKAPK2 (0.39) MAPKAPK2CDC7PIM1CDK9HRH4
Trifluoroacetic Acid SCHEMBL3610696 0.81 IRAK4 (0.42) CDC7PIM1CDK9HRH4IRAK4
Trifluoroacetic Acid SCHEMBL3620819 0.81 CDK9 (0.41) MAPKAPK2CDC7PIM1CDK9HRH4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MAPKAPK2 4395/4885ULK1 4553/4885CDC7 4089/4885

“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.