Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18108697

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(=O)NCc5ccccn5)cc34)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.56
▸ NTRK1 P04629 3/20 0.56
▸ INSR P06213 1/20 0.56
▸ IGF1R P08069 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ ALK Q9UM73 1/20 0.56
▸ KIT P10721 12/20 0.55
▸ FLT3 P36888 10/20 0.54

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
SCHEMBL18120892 0.95 AURKA (0.59) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108615 0.88 AURKA (0.56) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108594 0.86 NTRK1 (0.57) AURKANTRK1INSRIGF1RAURKB
SCHEMBL18108624 0.86 AURKA (0.58) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108642 0.86 NPC1 (0.52) FLT3
SCHEMBL18108652 0.85 AURKA (0.72) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108620 0.84 NTRK1 (0.57) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108601 0.84 AURKA (0.59) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108569 0.83 AURKA (0.59) AURKANTRK1INSRIGF1RAURKB
Trifluoroacetic Acid SCHEMBL18108766 0.82 AURKA (0.58) AURKANTRK1INSRIGF1RAURKB

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-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US claimed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — US claimed
US-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-05-21 — — US disclosed
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-06 — — 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 (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-10294207-B2 Pyrazole derivatives as TNIK, IKKϵ and TBK1 inhibitor and pharmaceutical composition comprising same TNIK, TNNI3K, TNK1 AURKA 361/4885NTRK1 254/4885INSR 1627/4885
US-20160289196-A1 PYRAZOLE DERIVATIVES AS TNIK, IKKe AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNNI3K, TNK1 AURKA 374/4885NTRK1 238/4885INSR 1495/4885

“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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