Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9101255

NC[C@H]1CCN(c2nc(N)nc3c4c(sc23)CCCC4)C1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
PRKCZ Q05513 1/20 0.39
HRH4 Q9H3N8 13/20 0.37
ADRB1 P08588 1/20 0.36
KHK P50053 3/20 0.33
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
CDK2 P24941 1/20 0.32
FLT4 P35916 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PRKCD Q05655 1/20 0.32
PAK1 Q13153 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
PIM3 Q86V86 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
SCHEMBL604445 0.90 PRKCI (0.45) PRKCIPRKCZHRH4ADRB1
Trifluoroacetic Acid SCHEMBL9104338 0.88 HRH3 (0.43) PRKCZHRH4ADRB1
Trifluoroacetic Acid SCHEMBL9232685 0.84 HRH4 (0.39) PRKCZHRH4ADRB1
Trifluoroacetic Acid SCHEMBL9099585 0.84 HRH4 (0.53) HRH4
Trifluoroacetic Acid SCHEMBL9100812 0.84 HRH4 (0.42) HRH4ADRB1
Trifluoroacetic Acid SCHEMBL9102466 0.84 HRH4 (0.52) HRH4
Trifluoroacetic Acid SCHEMBL9103184 0.83 ADRB1 (0.38) PRKCIPRKCZHRH4ADRB1
Trifluoroacetic Acid SCHEMBL9100766 0.83 ADRB1 (0.35) HRH4ADRB1
Trifluoroacetic Acid SCHEMBL9104180 0.82 ADRB1 (0.35) HRH4ADRB1
Trifluoroacetic Acid SCHEMBL9101425 0.81 PRKCZ (0.44) PRKCIPRKCZHRH4ADRB1

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-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-8440654-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 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 PRKCI 4579/4885PRKCZ 4205/4885HRH4 1/4885
US-20120238544-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 PRKCI 4579/4885PRKCZ 4205/4885HRH4 1/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 PRKCI 4616/4885PRKCZ 4152/4885HRH4 1/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 PRKCI 4579/4885PRKCZ 4205/4885HRH4 1/4885

“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.