Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3603250

N#Cc1ccc(NCCN)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 3/20 0.49
DPP4 P27487 11/20 0.47
DPP8 Q6V1X1 2/20 0.44
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHEK1 O14757 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 2/20 0.40
DPP9 Q86TI2 1/20 0.40
DYRK3 O43781 1/20 0.40
GSK3A P49840 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
JAK2 O60674 1/20 0.39

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
SCHEMBL1119557 0.86 DPP7 (0.50) DPP7DPP4DPP8CHEK1MEN1
Hydrochloric Acid SCHEMBL1119507 0.85 DPP7 (0.49) DPP7DPP4DPP8CHEK1MEN1
Hydrochloric Acid SCHEMBL1960447 0.85 DPP7 (0.49) DPP7DPP4DPP8CHEK1MEN1
Trifluoroacetic Acid SCHEMBL3607735 0.79 HCAR3 (0.43) DPP7MEN1KMT2AGSK3BDYRK3
SCHEMBL21521629 0.78 DPP7 (0.52) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL3115089 0.78 CHEK1 (0.52) DPP7DPP4DPP8HRH3CHEK1
SCHEMBL1514007 0.77 DPP4 (0.53) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL6638863 0.77 DPP4 (0.53) DPP7DPP4DPP8MEN1KMT2A
SCHEMBL8352280 0.76 CHEK1 (0.48) DPP7DPP4DPP8HRH3CHEK1
SCHEMBL27303609 0.76 EGLN2 (0.48) DPP7DPP4DPP8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed
WO-2003051848-A2 IMIDAZOLIDINEACETIC ACID DERIVATIVES FERRING BV (NL) 2003-06-26 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 (2 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO DPP7 1082/4885DPP4 436/4885DPP8 759/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT DPP7 1030/4885DPP4 497/4885DPP8 741/4885

“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.