Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1373010

Cc1onc2c(=O)[nH]nc(-c3ccc(OC4CCNCC4)cc3)c12.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.40
HRH3 Q9Y5N1 2/20 0.38
PPARD Q03181 2/20 0.34
PPARA Q07869 1/20 0.34
KCNH2 Q12809 2/20 0.34
CHEK2 O96017 1/20 0.34
HRH1 P35367 1/20 0.34
PIK3CA P42336 1/20 0.34
ROCK1 Q13464 3/20 0.34
ROCK2 O75116 2/20 0.33
PRKACA P17612 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKG1 Q13976 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
Q6ZSR9 Q6ZSR9 1/20 0.33
BMP2K Q9NSY1 1/20 0.33
CDC42BPB Q9Y5S2 1/20 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
SCHEMBL1374170 0.92 HRH3 (0.43) GRK6HRH3KCNH2CHEK2HRH1
SCHEMBL1376147 0.77 HRH3 (0.62) HRH3KCNH2
SCHEMBL10261867 0.77 HRH3 (0.40) HRH3KCNH2CHEK2ROCK1ROCK2
SCHEMBL1376313 0.74 GSK3A (0.50) PIK3CA
SCHEMBL994138 0.71 MAPT (0.49) ROCK1
SCHEMBL1373007 0.70 HRH3 (0.39) GRK6HRH3KCNH2CHEK2ROCK1
SCHEMBL3022888 0.70 MAPK1 (0.57) ROCK1
Trifluoroacetic Acid SCHEMBL1376086 0.69 HRH3 (0.56) GRK6HRH3KCNH2CHEK2HRH1
Trifluoroacetic Acid SCHEMBL2823895 0.68 HRH1 (0.53) GRK6HRH3KCNH2CHEK2HRH1
SCHEMBL4681966 0.68 MAPT (0.38) ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502918-B1 Pyridazinone Derivatives CEPHALON INC (US) 2015-03-25 EP disclosed
US-20140142088-A1 PYRIDAZINONE DERIVATIVES CEPHALON, INC. (US) 2014-05-22 US disclosed
US-8673916-B2 Methods of treating disorders mediated by histamine H3 receptors using pyridazinone derivatives CEPHALON, INC. (US) 2014-03-18 US disclosed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
EP-2069312-B1 PYRIDIZINONE DERIVATIVES CEPHALON INC (US) 2012-11-07 EP disclosed
EP-2502918-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-09-26 EP disclosed
EP-2492263-A1 Pyridizinone Derivatives Cephalon, Inc. (US) 2012-08-29 EP disclosed
US-8247414-B2 Pyridizinone derivatives and the use thereof as H3 inhibitors CEPHALON, INC. (US) 2012-08-21 US disclosed
US-8207168-B2 Pyridazinone derivatives CEPHALON, INC. (US) 2012-06-26 US disclosed
US-20110288075-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2011-11-24 US disclosed
US-20100280007-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-11-04 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20080027041-A1 Pyridizinone derivatives CEPHALON, INC. (US) 2008-01-31 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-20080027041-A1 Pyridizinone derivatives H1-5, H1-3, H1-4 GRK6 897/4885HRH3 4/4885PPARD 804/4885
US-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 GRK6 363/4885HRH3 1/4885PPARD 1193/4885
US-20110288075-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 GRK6 409/4885HRH3 1/4885PPARD 1065/4885
US-20140142088-A1 PYRIDAZINONE DERIVATIVES HRH3, HNMT, HRH4 GRK6 440/4885HRH3 1/4885PPARD 1093/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 GRK6 363/4885HRH3 1/4885PPARD 1193/4885

“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.