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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3762161

CS(=O)(=O)c1nc(N2CC[C@H]([C@H](CC#N)n3cc(-c4ncnc5[nH]ccc45)cn3)C2)c(F)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 3/20 0.58
▸ TYRO3 Q06418 3/20 0.58
▸ JAK2 O60674 13/20 0.55
▸ JAK1 P23458 10/20 0.55
▸ JAK3 P52333 3/20 0.55
▸ DAPK3 O43293 2/20 0.55
▸ PAK4 O96013 2/20 0.55
▸ ABL1 P00519 2/20 0.55
▸ RET P07949 2/20 0.55
▸ LTK P29376 2/20 0.55
▸ CSNK1A1 P48729 2/20 0.55
▸ CLK2 P49760 2/20 0.55
▸ TNK2 Q07912 2/20 0.55
▸ ROCK1 Q13464 2/20 0.55
▸ DYRK1A Q13627 2/20 0.55
▸ IKBKE Q14164 2/20 0.55
▸ NTRK3 Q16288 2/20 0.55
▸ NTRK2 Q16620 2/20 0.55
▸ LRRK2 Q5S007 2/20 0.55
▸ TAOK1 Q7L7X3 2/20 0.55

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
SCHEMBL860251 0.95 AXL (0.64) AXLTYRO3JAK2JAK1JAK3
SCHEMBL13058405 0.95 AXL (0.64) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL3753997 0.93 AXL (0.57) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL860419 0.93 JAK2 (0.57) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL3804986 0.92 AXL (0.59) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL3749039 0.92 AXL (0.61) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL3749035 0.92 AXL (0.61) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL859406 0.90 AXL (0.58) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL859553 0.89 AXL (0.59) AXLTYRO3JAK2JAK1JAK3
Trifluoroacetic Acid SCHEMBL860000 0.89 AXL (0.63) AXLTYRO3JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 — — US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 — — US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 — — US disclosed
EP-2432555-B1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-D]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-D]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2014-04-30 — — EP disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 AXL 449/4885TYRO3 25/4885JAK2 3/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 AXL 449/4885TYRO3 25/4885JAK2 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.