Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4093149

N#CCC(c1cccc(C#N)c1)n1cc(-c2ccnc3[nH]ccc23)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.44
APLNR P35414 1/20 0.43
JAK2 O60674 13/20 0.43
TYRO3 Q06418 1/20 0.43
JAK3 P52333 3/20 0.42
TYK2 P29597 2/20 0.42
GRM4 Q14833 1/20 0.41
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
TPX2 Q9ULW0 1/20 0.39

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
SCHEMBL29540731 0.92 AURKA (0.46) JAK1APLNRJAK2TYRO3JAK3
SCHEMBL100466 0.92 AURKA (0.46) JAK1APLNRJAK2TYRO3JAK3
Trifluoroacetic Acid SCHEMBL20512407 0.88 TYRO3 (0.55) JAK1JAK2TYRO3JAK3TYK2
Trifluoroacetic Acid SCHEMBL100175 0.88 TYRO3 (0.55) JAK1JAK2TYRO3JAK3TYK2
Trifluoroacetic Acid SCHEMBL98943 0.88 TYRO3 (0.55) JAK1JAK2TYRO3JAK3TYK2
Trifluoroacetic Acid SCHEMBL29541025 0.88 TYRO3 (0.55) JAK1JAK2TYRO3JAK3TYK2
Trifluoroacetic Acid SCHEMBL29540818 0.88 TYRO3 (0.55) JAK1JAK2TYRO3JAK3TYK2
Trifluoroacetic Acid SCHEMBL4088112 0.85 JAK2 (0.43) JAK1JAK2JAK3TYK2GRM4
Trifluoroacetic Acid SCHEMBL4096098 0.84 JAK2 (0.44) JAK1JAK2JAK3TYK2
Trifluoroacetic Acid SCHEMBL2385386 0.84 TYRO3 (0.39) JAK1JAK2TYRO3JAK3TYK2

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 JAK1 2/4885APLNR 2373/4885JAK2 3/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 JAK1 2/4885APLNR 2373/4885JAK2 3/4885

“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.