Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4086650

CSC(=NC#N)N1CCC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)CC1.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
JAK2 O60674 20/20 0.58
JAK1 P23458 15/20 0.58
JAK3 P52333 6/20 0.58
CIT O14578 1/20 0.54
GAK O14976 1/20 0.54
ROCK2 O75116 1/20 0.54
ULK1 O75385 1/20 0.54
PRKCB P05771 1/20 0.54
RET P07949 1/20 0.54
PRKCA P17252 1/20 0.54
PRKACA P17612 1/20 0.54
MARK3 P27448 1/20 0.54
TYK2 P29597 1/20 0.54
STAT3 P40763 1/20 0.54
CLK1 P49759 1/20 0.54
CSNK1G2 P78368 1/20 0.54
PRKCD Q05655 1/20 0.54
MAP3K1 Q13233 1/20 0.54
ROCK1 Q13464 1/20 0.54
TNK1 Q13470 1/20 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
SCHEMBL102492 0.93 JAK2 (0.63) JAK2JAK1JAK3CITGAK
SCHEMBL102491 0.93 JAK2 (0.63) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL4092513 0.90 JAK2 (0.61) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL4092510 0.90 JAK2 (0.61) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL29541055 0.85 JAK2 (0.73) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL2144969 0.85 JAK2 (0.73) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL870764 0.85 JAK2 (0.70) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL99130 0.84 JAK2 (0.72) JAK2JAK1JAK3CITGAK
Trifluoroacetic Acid SCHEMBL29540655 0.84 JAK2 (0.72) JAK2JAK1JAK3CITGAK
SCHEMBL100839 0.83 JAK2 (0.67) JAK2JAK1JAK3CITGAK

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 JAK2 3/4885JAK1 2/4885JAK3 1/4885
US-20090181959-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

“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.