Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4126873

Nc1nc(N2CCCNCC2)c2sc3c(c2n1)CC(F)(F)CC3.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
HRH4 Q9H3N8 5/20 0.35
HRH3 Q9Y5N1 2/20 0.35
IRAK4 Q9NWZ3 12/20 0.33
PRKCI P41743 2/20 0.33

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
Trifluoroacetic Acid SCHEMBL9105391 0.96 ADRB1 (0.40) ADRB1HRH4HRH3
SCHEMBL605479 0.92 ADRB1 (0.46) ADRB1HRH4HRH3PRKCI
Trifluoroacetic Acid SCHEMBL4131532 0.90 ADRB1 (0.41) ADRB1HRH4HRH3IRAK4PRKCI
SCHEMBL2800451 0.88 ADRB1 (0.47) ADRB1HRH4
Trifluoroacetic Acid SCHEMBL9101060 0.85 HRH4 (0.43) HRH4HRH3
SCHEMBL9884156 0.83 ADRB1 (0.37) ADRB1HRH4
SCHEMBL602877 0.80 ADRB1 (0.48) ADRB1HRH4PRKCI
Trifluoroacetic Acid SCHEMBL4131107 0.79 HRH4 (0.49) HRH4HRH3
Trifluoroacetic Acid SCHEMBL4135103 0.79 HRH4 (0.49) HRH4HRH3
SCHEMBL605648 0.77 ADRB1 (0.64) ADRB1HRH4HRH3PRKCI

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 11 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
EP-2200595-B1 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-11-20 EP 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
US-20090075970-A1 Thieno-and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 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 (5 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 ADRB1 351/4885HRH4 1/4885HRH3 2/4885
US-20090075970-A1 Thieno-and furo-pyrimidine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 ADRB1 351/4885HRH4 1/4885HRH3 2/4885
US-20120238544-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 ADRB1 351/4885HRH4 1/4885HRH3 2/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 ADRB1 248/4885HRH4 1/4885HRH3 2/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 ADRB1 351/4885HRH4 1/4885HRH3 2/4885

“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.