Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4483219

CCC[C@@H](CC#N)n1cc(-c2ccnc3[nH]ccc23)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.55
JAK1 P23458 11/20 0.55
JAK3 P52333 4/20 0.47
TYK2 P29597 2/20 0.47
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
TPX2 Q9ULW0 1/20 0.45
GRM4 Q14833 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
Trifluoroacetic Acid SCHEMBL4482750 1.00 JAK2 (0.55) JAK2JAK1JAK3TYK2AURKA
SCHEMBL100298 0.91 JAK2 (0.64) JAK2JAK1JAK3TYK2AURKA
SCHEMBL100579 0.91 JAK2 (0.64) JAK2JAK1JAK3TYK2AURKA
SCHEMBL101814 0.91 JAK2 (0.64) JAK2JAK1JAK3TYK2AURKA
Trifluoroacetic Acid SCHEMBL100282 0.88 JAK2 (0.50) JAK2JAK1JAK3TYK2AURKA
Trifluoroacetic Acid SCHEMBL101399 0.88 JAK2 (0.50) JAK2JAK1JAK3TYK2AURKA
Trifluoroacetic Acid SCHEMBL2145319 0.88 JAK2 (0.50) JAK2JAK1JAK3TYK2AURKA
Trifluoroacetic Acid SCHEMBL4082197 0.86 AURKB (0.53) JAK2JAK1JAK3TYK2AURKA
Trifluoroacetic Acid SCHEMBL99737 0.86 JAK2 (0.75) JAK2JAK1JAK3TYK2AURKA
Trifluoroacetic Acid SCHEMBL20943728 0.86 JAK2 (0.75) JAK2JAK1JAK3TYK2AURKA

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-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885JAK3 1/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 JAK2 4/4885JAK1 1/4885JAK3 2/4885

“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.