Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4099438

CC(C(=O)Nc1ccccc1)n1cc(-c2ccnc3[nH]ccc23)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CIT O14578 14/20 0.52
AURKA O14965 5/20 0.49
AURKB Q96GD4 5/20 0.49
GRM4 Q14833 1/20 0.49
INCENP Q9NQS7 1/20 0.47
TPX2 Q9ULW0 1/20 0.47

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
SCHEMBL29540965 0.94 CIT (0.57) CITAURKAAURKBGRM4INCENP
SCHEMBL99683 0.94 CIT (0.57) CITAURKAAURKBGRM4INCENP
Trifluoroacetic Acid SCHEMBL4086844 0.87 GRM4 (0.51) CITAURKAAURKBGRM4INCENP
Trifluoroacetic Acid SCHEMBL5134408 0.85 AURKB (0.51) CITAURKAAURKBGRM4INCENP
Trifluoroacetic Acid SCHEMBL4087373 0.85 GRM4 (0.53) CITAURKAAURKBGRM4INCENP
Trifluoroacetic Acid SCHEMBL4082197 0.81 AURKB (0.53) CITAURKAAURKBGRM4INCENP
SCHEMBL29540177 0.81 GRM4 (0.56) CITAURKAAURKBGRM4INCENP
SCHEMBL102702 0.81 GRM4 (0.56) CITAURKAAURKBGRM4INCENP
Trifluoroacetic Acid SCHEMBL4088346 0.80 AURKB (0.49) CITAURKAAURKBGRM4INCENP
Trifluoroacetic Acid SCHEMBL4088116 0.80 AURKB (0.49) CITAURKAAURKBGRM4INCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CIT 1775/4885AURKA 485/4885AURKB 198/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CIT 1775/4885AURKA 485/4885AURKB 198/4885

“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.