Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2985389

CC1(C)C(=O)NC(=O)N1CCNc1ncc(Br)c(-c2cc3cc(OC[C@@H]4CCCN4)ccc3s2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
MERTK Q12866 1/20 0.32

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
SCHEMBL2973757 0.94 MERTK (0.35) CHRNB2CHRNA4CHRNA3MERTK
SCHEMBL2973767 0.94 MERTK (0.35) CHRNB2CHRNA4CHRNA3MERTK
SCHEMBL5147304 0.88 MERTK (0.37) MERTK
SCHEMBL2975336 0.84 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL5182068 0.83 MERTK (0.34) CHRNB2CHRNA4CHRNA3MERTK
SCHEMBL2985398 0.81 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL2980347 0.80 PDE3B (0.36)
SCHEMBL2973307 0.80 PDE3B (0.41) CHRNB2CHRNA4
SCHEMBL2980471 0.80 PDE3B (0.40)
SCHEMBL2980391 0.79 PDE3B (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 CHRNB2 4850/4885CHRNA4 4876/4885CHRNA3 4853/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 CHRNB2 4850/4885CHRNA4 4876/4885CHRNA3 4853/4885

“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.