Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9101425

NCCN1CCN(c2nc(N)nc3c4c(sc23)CCCC4)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.44
ADRB1 P08588 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH4 Q9H3N8 7/20 0.36
PRKCI P41743 6/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
ACACA Q13085 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL602336 0.90 PRKCZ (0.51) PRKCZADRB1MEN1KMT2AHRH4
Trifluoroacetic Acid SCHEMBL9101035 0.89 ADRB1 (0.41) ADRB1MEN1KMT2AHRH4PRKCI
Trifluoroacetic Acid SCHEMBL9099087 0.87 HRH4 (0.46) PRKCZADRB1MEN1KMT2AHRH4
Trifluoroacetic Acid SCHEMBL9101409 0.83 ADRB1 (0.41) ADRB1MEN1KMT2AHRH4PIK3CA
Trifluoroacetic Acid SCHEMBL9101255 0.81 PRKCI (0.39) PRKCZADRB1HRH4PRKCI
Trifluoroacetic Acid SCHEMBL9103184 0.81 ADRB1 (0.38) PRKCZADRB1HRH4PRKCIALDH1A1
Trifluoroacetic Acid SCHEMBL9104338 0.80 HRH3 (0.43) PRKCZADRB1HRH4
SCHEMBL2802163 0.79 ADRB1 (0.46) ADRB1MEN1KMT2AHRH4PIK3CA
Trifluoroacetic Acid SCHEMBL9100766 0.79 ADRB1 (0.35) ADRB1HRH4
SCHEMBL604915 0.78 ADRB1 (0.49) PRKCZADRB1MEN1KMT2AHRH4

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-8937075-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2015-01-20 US disclosed
US-8927555-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2015-01-06 US disclosed
US-8445482-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR EDWARDS JAMES P (US) 2012-10-25 US disclosed
US-20120238544-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Timoneda, Jesús Joanós i 2012-09-20 US disclosed
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR EDWARDS JAMES P (US) 2012-08-23 US disclosed
US-20120208793-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Timoneda, Jesús Joanós 2012-08-16 US disclosed
US-8193178-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-06-05 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 (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-20120208793-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 PRKCZ 4205/4885ADRB1 351/4885MEN1 4118/4885
US-20120238544-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 PRKCZ 4205/4885ADRB1 351/4885MEN1 4118/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 PRKCZ 4152/4885ADRB1 248/4885MEN1 3864/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 PRKCZ 4205/4885ADRB1 351/4885MEN1 4118/4885

“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.