Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16899707

Cn1cc(-c2cccc(-c3ncc(-c4cnn(CCN)c4)cn3)c2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 9/20 0.48
▸ IRAK1 P51617 12/20 0.48
▸ MET P08581 1/20 0.44
▸ FGFR3 P22607 1/20 0.43

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
SCHEMBL16907850 0.89 IRAK4 (0.57) IRAK4IRAK1
SCHEMBL15416036 0.83 IRAK4 (0.51) IRAK4IRAK1
SCHEMBL15416466 0.82 IRAK4 (0.58) IRAK4IRAK1
SCHEMBL20262248 0.82 IRAK1 (0.46) IRAK4IRAK1
SCHEMBL15416393 0.81 IRAK1 (0.56) IRAK4IRAK1MET
SCHEMBL16899706 0.81 IRAK1 (0.45) IRAK4IRAK1
SCHEMBL15416616 0.81 IRAK4 (0.52) IRAK4IRAK1
SCHEMBL15431525 0.79 IRAK4 (0.58) IRAK4IRAK1
SCHEMBL15431494 0.79 IRAK4 (0.48) IRAK4IRAK1
SCHEMBL15416640 0.78 IRAK1 (0.59) IRAK4IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
EP-3092225-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS Merck Patent GmbH (DE) 2016-11-16 — — EP disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 — — WO 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 (2 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-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 IRAK4 4/4885IRAK1 3/4885MET 2313/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 IRAK4 4/4885IRAK1 3/4885MET 1617/4885

“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.

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