Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29540745

CCCN(C)c1nc(-c2ccnc3[nH]ccc23)cs1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.48
CIT O14578 4/20 0.47
NUDT1 P36639 2/20 0.43
NEK1 Q96PY6 2/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
PRKCI P41743 2/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
RHEB Q15382 1/20 0.36
CHEK1 O14757 1/20 0.36
PIK3CA P42336 1/20 0.36
ATR Q13535 1/20 0.36
AKT1 P31749 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKCA P17252 1/20 0.36

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 SCHEMBL5145042 1.00 ROCK1 (0.48) ROCK1CITNUDT1NEK1CCNK
SCHEMBL99688 0.90 NUDT1 (0.49) ROCK1CITNUDT1NEK1CCNK
SCHEMBL18602197 0.77 NUDT1 (0.52) ROCK1CITNUDT1CCNKCDK12
Trifluoroacetic Acid SCHEMBL29540593 0.76 ROCK1 (0.58) ROCK1CITNUDT1CCNKCDK12
Trifluoroacetic Acid SCHEMBL99512 0.76 ROCK1 (0.58) ROCK1CITNUDT1CCNKCDK12
SCHEMBL29540606 0.73 ROCK1 (0.52) ROCK1CITNUDT1CCNKCDK12
SCHEMBL99400 0.73 ROCK1 (0.52) ROCK1CITNUDT1CCNKCDK12
SCHEMBL10124992 0.72 NUDT1 (0.49) ROCK1CITNUDT1NEK1CCNK
SCHEMBL19062148 0.71 NUDT1 (0.46) ROCK1CITNUDT1CCNKCDK12
SCHEMBL12257978 0.68 NUDT1 (0.56) ROCK1CITNUDT1CCNKCDK12

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
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 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 (3 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ROCK1 1782/4885CIT 1775/4885NUDT1 1879/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ROCK1 1782/4885CIT 1775/4885NUDT1 1879/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ROCK1 1782/4885CIT 1775/4885NUDT1 1879/4885

“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.