Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL563415

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(-c3ccccn3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.42
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PCK1 P35558 1/20 0.36
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GNRHR P30968 1/20 0.35
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL2522523 0.92 ADORA2A (0.46) ADORA2AALDH1A1SMN1; SMN2HTTKDM4E
Trifluoroacetic Acid SCHEMBL562501 0.89 ADORA2A (0.44) ADORA2AALDH1A1SMN1; SMN2NPSR1PCK1
Trifluoroacetic Acid SCHEMBL562117 0.87 ADORA2A (0.41) ADORA2AALDH1A1SMN1; SMN2NPSR1PCK1
Trifluoroacetic Acid SCHEMBL563148 0.86 ADORA2A (0.40) ADORA2AALDH1A1SMN1; SMN2PCK1HTT
Trifluoroacetic Acid SCHEMBL561998 0.85 ADORA2A (0.38) ADORA2AALDH1A1NPSR1PCK1KDM4E
Trifluoroacetic Acid SCHEMBL562294 0.85 ADORA2A (0.41) ADORA2AALDH1A1HTTTDP1POLB
Trifluoroacetic Acid SCHEMBL562778 0.83 APLNR (0.38) ADORA2AALDH1A1SMN1; SMN2NPSR1HTT
Trifluoroacetic Acid SCHEMBL563370 0.83 ALDH1A1 (0.35) ADORA2AALDH1A1SMN1; SMN2PCK1ADORA1
SCHEMBL562116 0.83 ADORA2A (0.52) ADORA2AALDH1A1SMN1; SMN2CYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL563539 0.83 ADORA2A (0.38) ADORA2AALDH1A1SMN1; SMN2PCK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2014-12-18 US disclosed
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US disclosed
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 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 (4 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-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ALDH1A1 641/4885SMN1; SMN2 1165/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ADORA2A 12/4885ALDH1A1 641/4885SMN1; SMN2 1165/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ALDH1A1 641/4885SMN1; SMN2 1165/4885
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders HMGCR, LDLR, GPBAR1 ADORA2A 24/4885ALDH1A1 181/4885SMN1; SMN2 4478/4885

“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.