Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3607735

CC(CN)Nc1ccc(C#N)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
IRAK4 Q9NWZ3 6/20 0.42
DPP7 Q9UHL4 1/20 0.40
IDH1 O75874 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
VNN1 O95497 1/20 0.39
DYRK3 O43781 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
STK17A Q9UEE5 1/20 0.38
JAK2 O60674 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.37

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
SCHEMBL12680385 0.87 IDH1 (0.42) HCAR3IRAK4DPP7IDH1MEN1
Trifluoroacetic Acid SCHEMBL3603250 0.79 DPP7 (0.49) DPP7MEN1KMT2ADYRK3GSK3A
SCHEMBL3612275 0.78 HCAR3 (0.47) HCAR3IRAK4DPP7IDH1MEN1
SCHEMBL4438988 0.75 HCAR3 (0.42) HCAR3IRAK4DPP7IDH1MEN1
SCHEMBL19249517 0.75 HCAR3 (0.55) HCAR3IRAK4DPP7IDH1MEN1
Trifluoroacetic Acid SCHEMBL4222279 0.74 EP300 (0.43)
SCHEMBL27306292 0.74 AR (0.41) IRAK4IDH1MEN1KMT2AVNN1
SCHEMBL22674741 0.72 IDH1 (0.43) HCAR3IRAK4DPP7IDH1MEN1
SCHEMBL12680383 0.72 IRAK4 (0.45) HCAR3IRAK4IDH1MEN1KMT2A
SCHEMBL27615742 0.72 DPP7 (0.41) IRAK4DPP7IDH1MEN1KMT2A

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 7 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

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 HCAR3 2940/4885IRAK4 242/4885DPP7 1082/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT HCAR3 3259/4885IRAK4 152/4885DPP7 1030/4885

“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.