Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9100925

CC1CCc2sc3c(N4CCN(C)CC4)nc(N)nc3c2C1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HRH4 Q9H3N8 12/20 0.44
NPC1 O15118 2/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 3/20 0.35
GPR55 Q9Y2T6 2/20 0.35
CNR2 P34972 1/20 0.35
NOD2 Q9HC29 1/20 0.34

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
SCHEMBL603106 0.90 MEN1 (0.53) MEN1KMT2AHRH4NPC1NOD2
Trifluoroacetic Acid SCHEMBL9099087 0.85 HRH4 (0.46) MEN1KMT2AHRH4
Trifluoroacetic Acid SCHEMBL9100782 0.84 HRH4 (0.51) HRH4
SCHEMBL602340 0.83 HRH4 (0.48) MEN1KMT2AHRH4
Hydrochloric Acid SCHEMBL4123749 0.82 HRH4 (0.47) MEN1KMT2AHRH4
Trifluoroacetic Acid SCHEMBL4124911 0.82 HRH4 (0.43) HRH4
Trifluoroacetic Acid SCHEMBL9101060 0.82 HRH4 (0.43) HRH4
Trifluoroacetic Acid SCHEMBL9101020 0.80 HRH4 (0.42) HRH4NPC1
SCHEMBL604415 0.80 HRH4 (0.47) MEN1KMT2AHRH4POLB
SCHEMBL604631 0.78 ADRB1 (0.50) MEN1KMT2AHRH4NPC1NOD2

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 MEN1 4118/4885KMT2A 1156/4885HRH4 1/4885
US-20120238544-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 MEN1 4118/4885KMT2A 1156/4885HRH4 1/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 MEN1 3864/4885KMT2A 1542/4885HRH4 1/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 MEN1 4118/4885KMT2A 1156/4885HRH4 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.