Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3620145

N#Cc1cc(-c2ccnc(-c3ccc(C(=O)NC4CCCC4)cc3)c2)[nH]c1N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.52
DYRK1B Q9Y463 1/20 0.52
PRKD1 Q15139 4/20 0.38
PRKD2 Q9BZL6 4/20 0.38
HPGDS O60760 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CDC7 O00311 1/20 0.38
PIM1 P11309 1/20 0.38
CDK9 P50750 1/20 0.38
ADRB1 P08588 1/20 0.37
TGFBR1 P36897 2/20 0.37
RIPK1 Q13546 1/20 0.37
MAPK14 Q16539 1/20 0.37
STK17A Q9UEE5 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL13408136 0.95 MAPKAPK2 (0.57) MAPKAPK2DYRK1BPRKD1PRKD2NPC1
Trifluoroacetic Acid SCHEMBL3616010 0.86 MAPKAPK2 (0.41) MAPKAPK2DYRK1BPRKD1CDC7PIM1
Trifluoroacetic Acid SCHEMBL3620664 0.85 CCNC (0.44) MAPKAPK2CDC7PIM1CDK9TGFBR1
SCHEMBL13408133 0.83 ULK1 (0.43) MAPKAPK2DYRK1BPRKD1CDC7PIM1
SCHEMBL3616693 0.82 MAPKAPK2 (0.62) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
Trifluoroacetic Acid SCHEMBL3619263 0.82 ALDH1A1 (0.44) MAPKAPK2CDC7PIM1CDK9MAPK14
Trifluoroacetic Acid SCHEMBL3614592 0.81 PIM1 (0.39) MAPKAPK2CDC7PIM1CDK9IRAK4
Trifluoroacetic Acid SCHEMBL3610696 0.81 IRAK4 (0.42) PRKD1PRKD2CDC7PIM1CDK9
Trifluoroacetic Acid SCHEMBL3616616 0.81 RET (0.40) PRKD1PRKD2IRAK4
Trifluoroacetic Acid SCHEMBL3616676 0.80 MAPKAPK2 (0.39) MAPKAPK2DYRK1BPRKD1PRKD2CDC7

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 4395/4885DYRK1B 4170/4885PRKD1 3780/4885

“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.